### started at Wed Jul 31 10:18:22 CDT 2024 ### data/00/a-pp/210/00/build cd data/00/a-pp/210/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 210 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439102 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:23 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/00/build cd data/00/a-pp/215/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 215 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439103 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:24 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/00/build cd data/00/a-pp/220/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 220 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439104 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:24 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/00/build cd data/00/a-pp/225/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 225 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439105 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:25 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/00/build cd data/00/a-pp/230/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 230 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439106 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:26 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/00/build cd data/00/a-pp/235/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 235 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439107 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:27 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/00/build cd data/00/a-pp/240/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 240 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439108 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:27 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/00/build cd data/00/a-pp/245/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 245 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439109 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:28 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/00/build cd data/00/a-pp/250/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 250 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439110 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:29 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/00/build cd data/00/a-pp/255/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 255 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439111 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:30 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/00/build cd data/00/a-pp/260/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 260 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439112 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:31 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/00/build cd data/00/a-pp/265/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 265 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439113 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:31 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/00/build cd data/00/a-pp/270/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 270 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439114 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:32 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/00/build cd data/00/a-pp/275/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 275 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439115 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:33 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/00/build cd data/00/a-pp/280/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 280 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439116 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:34 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/00/build cd data/00/a-pp/285/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 285 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439117 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:34 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/00/build cd data/00/a-pp/290/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 290 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439118 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:35 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/00/build cd data/00/a-pp/295/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 295 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439119 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:36 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/00/build cd data/00/a-pp/300/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 300 -density 0.85 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439120 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:37 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/00/build cd data/00/a-ps/#/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature # -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439121 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:37 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./00/build cd data/00/a-ps/e.g./00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature e.g. -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439122 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:38 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/00/build cd data/00/a-ps/s:200:300:5/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature s:200:300:5 -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: too few group entries (< 2) in line 74 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439123 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:39 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/00/build cd data/00/a-ps/generates/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature generates -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439124 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:40 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/00/build cd data/00/a-ps/a/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature a -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439125 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:40 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/00/build cd data/00/a-ps/sequence/00/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature sequence -density 1.00 -copy 00 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439126 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:41 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/01/build cd data/00/a-pp/210/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 210 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439127 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:42 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/01/build cd data/00/a-pp/215/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 215 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439128 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:43 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/01/build cd data/00/a-pp/220/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 220 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439129 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:43 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/01/build cd data/00/a-pp/225/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 225 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439130 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:44 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/01/build cd data/00/a-pp/230/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 230 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439131 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:45 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/01/build cd data/00/a-pp/235/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 235 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439132 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:45 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/01/build cd data/00/a-pp/240/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 240 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439133 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:46 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/01/build cd data/00/a-pp/245/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 245 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439134 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:47 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/01/build cd data/00/a-pp/250/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 250 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439135 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:48 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/01/build cd data/00/a-pp/255/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 255 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439136 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:48 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/01/build cd data/00/a-pp/260/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 260 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439137 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:49 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/01/build cd data/00/a-pp/265/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 265 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439138 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:50 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/01/build cd data/00/a-pp/270/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 270 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439139 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:50 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/01/build cd data/00/a-pp/275/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 275 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439140 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:51 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/01/build cd data/00/a-pp/280/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 280 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439141 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:52 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/01/build cd data/00/a-pp/285/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 285 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439142 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:53 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/01/build cd data/00/a-pp/290/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 290 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439143 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:53 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/01/build cd data/00/a-pp/295/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 295 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439144 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:54 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/01/build cd data/00/a-pp/300/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 300 -density 0.85 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439145 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:55 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/01/build cd data/00/a-ps/#/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature # -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439146 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:56 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./01/build cd data/00/a-ps/e.g./01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature e.g. -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439147 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:56 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/01/build cd data/00/a-ps/s:200:300:5/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature s:200:300:5 -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: too few group entries (< 2) in line 74 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439148 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:57 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/01/build cd data/00/a-ps/generates/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature generates -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439149 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:58 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/01/build cd data/00/a-ps/a/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature a -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439150 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:59 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/01/build cd data/00/a-ps/sequence/01/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature sequence -density 1.00 -copy 01 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439151 build.emc ### run.sh v3.7 started at Wed Jul 31 10:18:59 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/02/build cd data/00/a-pp/210/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 210 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439152 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:00 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/02/build cd data/00/a-pp/215/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 215 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439153 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:01 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/02/build cd data/00/a-pp/220/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 220 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439154 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:01 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/02/build cd data/00/a-pp/225/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 225 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439155 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:02 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/02/build cd data/00/a-pp/230/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 230 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439156 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:03 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/02/build cd data/00/a-pp/235/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 235 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439157 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:04 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/02/build cd data/00/a-pp/240/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 240 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439158 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:04 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/02/build cd data/00/a-pp/245/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 245 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439159 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:05 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/02/build cd data/00/a-pp/250/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 250 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439160 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:06 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/02/build cd data/00/a-pp/255/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 255 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439161 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:06 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/02/build cd data/00/a-pp/260/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 260 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439162 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:07 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/02/build cd data/00/a-pp/265/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 265 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439163 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:08 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/02/build cd data/00/a-pp/270/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 270 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439164 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:09 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/02/build cd data/00/a-pp/275/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 275 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439165 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:09 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/02/build cd data/00/a-pp/280/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 280 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439166 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:10 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/02/build cd data/00/a-pp/285/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 285 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439167 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:11 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/02/build cd data/00/a-pp/290/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 290 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439168 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:12 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/02/build cd data/00/a-pp/295/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 295 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439169 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:12 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/02/build cd data/00/a-pp/300/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 300 -density 0.85 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439170 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:13 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/02/build cd data/00/a-ps/#/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature # -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439171 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:14 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./02/build cd data/00/a-ps/e.g./02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature e.g. -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439172 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:15 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/02/build cd data/00/a-ps/s:200:300:5/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature s:200:300:5 -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: too few group entries (< 2) in line 74 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439173 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:16 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/02/build cd data/00/a-ps/generates/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature generates -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439174 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:16 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/02/build cd data/00/a-ps/a/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature a -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439175 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:17 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/02/build cd data/00/a-ps/sequence/02/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature sequence -density 1.00 -copy 02 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439176 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:18 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/03/build cd data/00/a-pp/210/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 210 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439177 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:19 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/03/build cd data/00/a-pp/215/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 215 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439178 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:19 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/03/build cd data/00/a-pp/220/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 220 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439179 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:20 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/03/build cd data/00/a-pp/225/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 225 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439180 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:21 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/03/build cd data/00/a-pp/230/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 230 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439181 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:22 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/03/build cd data/00/a-pp/235/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 235 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439182 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:22 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/03/build cd data/00/a-pp/240/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 240 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439183 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:23 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/03/build cd data/00/a-pp/245/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 245 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439184 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:24 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/03/build cd data/00/a-pp/250/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 250 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439185 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:24 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/03/build cd data/00/a-pp/255/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 255 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439186 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:25 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/03/build cd data/00/a-pp/260/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 260 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439187 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:26 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/03/build cd data/00/a-pp/265/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 265 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439188 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:27 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/03/build cd data/00/a-pp/270/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 270 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439189 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:27 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/03/build cd data/00/a-pp/275/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 275 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439190 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:28 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/03/build cd data/00/a-pp/280/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 280 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439191 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:29 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/03/build cd data/00/a-pp/285/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 285 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439192 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:29 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/03/build cd data/00/a-pp/290/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 290 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439193 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:30 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/03/build cd data/00/a-pp/295/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 295 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439194 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:31 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/03/build cd data/00/a-pp/300/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 300 -density 0.85 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439195 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:32 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/03/build cd data/00/a-ps/#/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature # -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439196 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:32 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./03/build cd data/00/a-ps/e.g./03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature e.g. -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439197 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:33 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/03/build cd data/00/a-ps/s:200:300:5/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature s:200:300:5 -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: too few group entries (< 2) in line 74 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439198 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:34 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/03/build cd data/00/a-ps/generates/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature generates -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439199 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:35 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/03/build cd data/00/a-ps/a/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature a -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439200 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:35 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/03/build cd data/00/a-ps/sequence/03/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature sequence -density 1.00 -copy 03 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439201 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:36 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/04/build cd data/00/a-pp/210/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 210 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439202 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:37 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/04/build cd data/00/a-pp/215/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 215 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439203 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:38 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/04/build cd data/00/a-pp/220/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 220 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439204 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:38 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/04/build cd data/00/a-pp/225/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 225 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439205 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:39 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/04/build cd data/00/a-pp/230/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 230 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439206 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:40 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/04/build cd data/00/a-pp/235/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 235 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439207 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:40 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/04/build cd data/00/a-pp/240/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 240 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439208 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:41 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/04/build cd data/00/a-pp/245/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 245 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439209 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:42 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/04/build cd data/00/a-pp/250/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 250 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439210 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:43 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/04/build cd data/00/a-pp/255/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 255 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439211 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:43 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/04/build cd data/00/a-pp/260/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 260 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439212 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:44 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/04/build cd data/00/a-pp/265/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 265 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439213 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:45 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/04/build cd data/00/a-pp/270/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 270 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439214 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:46 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/04/build cd data/00/a-pp/275/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 275 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439215 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:46 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/04/build cd data/00/a-pp/280/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 280 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439216 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:47 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/04/build cd data/00/a-pp/285/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 285 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439217 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:48 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/04/build cd data/00/a-pp/290/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 290 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439218 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:48 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/04/build cd data/00/a-pp/295/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 295 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439219 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:49 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/04/build cd data/00/a-pp/300/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-pp -temperature 300 -density 0.85 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: empty name in line 79 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439220 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:50 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/04/build cd data/00/a-ps/#/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature # -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439221 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:51 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./04/build cd data/00/a-ps/e.g./04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature e.g. -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439222 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:51 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/04/build cd data/00/a-ps/s:200:300:5/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature s:200:300:5 -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Error: too few group entries (< 2) in line 74 of ./atom.esh run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439223 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:52 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/04/build cd data/00/a-ps/generates/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature generates -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439224 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:53 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/04/build cd data/00/a-ps/a/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature a -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439225 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:54 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/04/build cd data/00/a-ps/sequence/04/build /Users/wyattkuehster/Desktop/project/chemistry/scripts/atom.sh -project atom -stage 00 -trial a-ps -temperature sequence -density 1.00 -copy 04 atom emc_setup.pl -lammps=2018 -preprocess=0 -project=atom -workdir=/Users/wyattkuehster/Desktop/project -emc_execute=false atom.esh EMC Setup v4.1.5 (March 30, 2024), (c) 2004-2024 Pieter J. in 't Veld Info: reading script from "./atom.esh" Info: phase1 = {polymer} Info: project = atom Info: ntotal = 25000 Info: direction = x Info: shape = 1 Info: force field type = "opls" Info: force field name = "opls/2012/opls-ua" Info: force field location = "~/Desktop/v9.4.4:/field" Info: build for LAMMPS script in "../build" Warning: field 'charmm/c36a/cgenff' not found; no changes Info: creating LAMMPS run script "atom.in" Info: adding verbatim lammps tail paragraph at simulation Info: adding energy sampling Info: adding pressure sampling Info: adding volume sampling Info: creating EMC build script "build.emc" Info: assuming mol fractions run.sh -memory default -ppn default -n 1 -walltime 00:40:00 -starttime now -queue local -project atom -output build.out emc_ -seed=1722439226 build.emc ### run.sh v3.7 started at Wed Jul 31 10:19:54 CDT 2024 ### ERROR: 'emc_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/00/00 cd data/00/a-pp/210/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439227 -var vseed 22439228 ### run.sh v3.7 started at Wed Jul 31 10:19:55 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/00/00 cd data/00/a-pp/215/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439229 -var vseed 22439230 ### run.sh v3.7 started at Wed Jul 31 10:19:55 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/00/00 cd data/00/a-pp/220/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439231 -var vseed 22439232 ### run.sh v3.7 started at Wed Jul 31 10:19:55 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/00/00 cd data/00/a-pp/225/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439233 -var vseed 22439234 ### run.sh v3.7 started at Wed Jul 31 10:19:55 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/00/00 cd data/00/a-pp/230/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439235 -var vseed 22439236 ### run.sh v3.7 started at Wed Jul 31 10:19:56 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/00/00 cd data/00/a-pp/235/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439237 -var vseed 22439238 ### run.sh v3.7 started at Wed Jul 31 10:19:56 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/00/00 cd data/00/a-pp/240/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439239 -var vseed 22439240 ### run.sh v3.7 started at Wed Jul 31 10:19:56 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/00/00 cd data/00/a-pp/245/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439241 -var vseed 22439242 ### run.sh v3.7 started at Wed Jul 31 10:19:56 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/00/00 cd data/00/a-pp/250/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439243 -var vseed 22439244 ### run.sh v3.7 started at Wed Jul 31 10:19:57 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/00/00 cd data/00/a-pp/255/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439245 -var vseed 22439246 ### run.sh v3.7 started at Wed Jul 31 10:19:57 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/00/00 cd data/00/a-pp/260/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439247 -var vseed 22439248 ### run.sh v3.7 started at Wed Jul 31 10:19:57 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/00/00 cd data/00/a-pp/265/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439249 -var vseed 22439250 ### run.sh v3.7 started at Wed Jul 31 10:19:57 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/00/00 cd data/00/a-pp/270/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439251 -var vseed 22439252 ### run.sh v3.7 started at Wed Jul 31 10:19:57 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/00/00 cd data/00/a-pp/275/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439253 -var vseed 22439254 ### run.sh v3.7 started at Wed Jul 31 10:19:58 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/00/00 cd data/00/a-pp/280/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439255 -var vseed 22439256 ### run.sh v3.7 started at Wed Jul 31 10:19:58 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/00/00 cd data/00/a-pp/285/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439257 -var vseed 22439258 ### run.sh v3.7 started at Wed Jul 31 10:19:58 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/00/00 cd data/00/a-pp/290/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439259 -var vseed 22439260 ### run.sh v3.7 started at Wed Jul 31 10:19:58 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/00/00 cd data/00/a-pp/295/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439261 -var vseed 22439262 ### run.sh v3.7 started at Wed Jul 31 10:19:58 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/00/00 cd data/00/a-pp/300/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439263 -var vseed 22439264 ### run.sh v3.7 started at Wed Jul 31 10:19:59 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/00/00 cd data/00/a-ps/#/00/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439265 -var vseed 22439266 ### run.sh v3.7 started at Wed Jul 31 10:19:59 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./00/00 cd data/00/a-ps/e.g./00/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439267 -var vseed 22439268 ### run.sh v3.7 started at Wed Jul 31 10:19:59 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/00/00 cd data/00/a-ps/s:200:300:5/00/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439269 -var vseed 22439270 ### run.sh v3.7 started at Wed Jul 31 10:19:59 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/00/00 cd data/00/a-ps/generates/00/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439271 -var vseed 22439272 ### run.sh v3.7 started at Wed Jul 31 10:20:00 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/00/00 cd data/00/a-ps/a/00/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439273 -var vseed 22439274 ### run.sh v3.7 started at Wed Jul 31 10:20:00 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/00/00 cd data/00/a-ps/sequence/00/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439275 -var vseed 22439276 ### run.sh v3.7 started at Wed Jul 31 10:20:00 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/01/00 cd data/00/a-pp/210/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439277 -var vseed 22439278 ### run.sh v3.7 started at Wed Jul 31 10:20:00 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/01/00 cd data/00/a-pp/215/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439279 -var vseed 22439280 ### run.sh v3.7 started at Wed Jul 31 10:20:01 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/01/00 cd data/00/a-pp/220/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439281 -var vseed 22439282 ### run.sh v3.7 started at Wed Jul 31 10:20:01 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/01/00 cd data/00/a-pp/225/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439283 -var vseed 22439284 ### run.sh v3.7 started at Wed Jul 31 10:20:01 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/01/00 cd data/00/a-pp/230/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439285 -var vseed 22439286 ### run.sh v3.7 started at Wed Jul 31 10:20:01 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/01/00 cd data/00/a-pp/235/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439287 -var vseed 22439288 ### run.sh v3.7 started at Wed Jul 31 10:20:01 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/01/00 cd data/00/a-pp/240/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439289 -var vseed 22439290 ### run.sh v3.7 started at Wed Jul 31 10:20:02 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/01/00 cd data/00/a-pp/245/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439291 -var vseed 22439292 ### run.sh v3.7 started at Wed Jul 31 10:20:02 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/01/00 cd data/00/a-pp/250/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439293 -var vseed 22439294 ### run.sh v3.7 started at Wed Jul 31 10:20:02 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/01/00 cd data/00/a-pp/255/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439295 -var vseed 22439296 ### run.sh v3.7 started at Wed Jul 31 10:20:02 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/01/00 cd data/00/a-pp/260/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439297 -var vseed 22439298 ### run.sh v3.7 started at Wed Jul 31 10:20:02 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/01/00 cd data/00/a-pp/265/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439299 -var vseed 22439300 ### run.sh v3.7 started at Wed Jul 31 10:20:03 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/01/00 cd data/00/a-pp/270/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439301 -var vseed 22439302 ### run.sh v3.7 started at Wed Jul 31 10:20:03 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/01/00 cd data/00/a-pp/275/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439303 -var vseed 22439304 ### run.sh v3.7 started at Wed Jul 31 10:20:03 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/01/00 cd data/00/a-pp/280/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439305 -var vseed 22439306 ### run.sh v3.7 started at Wed Jul 31 10:20:03 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/01/00 cd data/00/a-pp/285/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439307 -var vseed 22439308 ### run.sh v3.7 started at Wed Jul 31 10:20:03 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/01/00 cd data/00/a-pp/290/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439309 -var vseed 22439310 ### run.sh v3.7 started at Wed Jul 31 10:20:04 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/01/00 cd data/00/a-pp/295/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439311 -var vseed 22439312 ### run.sh v3.7 started at Wed Jul 31 10:20:04 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/01/00 cd data/00/a-pp/300/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439313 -var vseed 22439314 ### run.sh v3.7 started at Wed Jul 31 10:20:04 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/01/00 cd data/00/a-ps/#/01/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439315 -var vseed 22439316 ### run.sh v3.7 started at Wed Jul 31 10:20:04 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./01/00 cd data/00/a-ps/e.g./01/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439317 -var vseed 22439318 ### run.sh v3.7 started at Wed Jul 31 10:20:05 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/01/00 cd data/00/a-ps/s:200:300:5/01/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439319 -var vseed 22439320 ### run.sh v3.7 started at Wed Jul 31 10:20:05 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/01/00 cd data/00/a-ps/generates/01/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439321 -var vseed 22439322 ### run.sh v3.7 started at Wed Jul 31 10:20:05 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/01/00 cd data/00/a-ps/a/01/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439323 -var vseed 22439324 ### run.sh v3.7 started at Wed Jul 31 10:20:05 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/01/00 cd data/00/a-ps/sequence/01/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439325 -var vseed 22439326 ### run.sh v3.7 started at Wed Jul 31 10:20:05 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/02/00 cd data/00/a-pp/210/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439327 -var vseed 22439328 ### run.sh v3.7 started at Wed Jul 31 10:20:06 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/02/00 cd data/00/a-pp/215/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439329 -var vseed 22439330 ### run.sh v3.7 started at Wed Jul 31 10:20:06 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/02/00 cd data/00/a-pp/220/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439331 -var vseed 22439332 ### run.sh v3.7 started at Wed Jul 31 10:20:06 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/02/00 cd data/00/a-pp/225/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439333 -var vseed 22439334 ### run.sh v3.7 started at Wed Jul 31 10:20:06 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/02/00 cd data/00/a-pp/230/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439335 -var vseed 22439336 ### run.sh v3.7 started at Wed Jul 31 10:20:06 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/02/00 cd data/00/a-pp/235/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439337 -var vseed 22439338 ### run.sh v3.7 started at Wed Jul 31 10:20:07 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/02/00 cd data/00/a-pp/240/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439339 -var vseed 22439340 ### run.sh v3.7 started at Wed Jul 31 10:20:07 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/02/00 cd data/00/a-pp/245/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439341 -var vseed 22439342 ### run.sh v3.7 started at Wed Jul 31 10:20:07 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/02/00 cd data/00/a-pp/250/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439343 -var vseed 22439344 ### run.sh v3.7 started at Wed Jul 31 10:20:07 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/02/00 cd data/00/a-pp/255/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439345 -var vseed 22439346 ### run.sh v3.7 started at Wed Jul 31 10:20:07 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/02/00 cd data/00/a-pp/260/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439347 -var vseed 22439348 ### run.sh v3.7 started at Wed Jul 31 10:20:08 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/02/00 cd data/00/a-pp/265/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439349 -var vseed 22439350 ### run.sh v3.7 started at Wed Jul 31 10:20:08 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/02/00 cd data/00/a-pp/270/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439351 -var vseed 22439352 ### run.sh v3.7 started at Wed Jul 31 10:20:08 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/02/00 cd data/00/a-pp/275/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439353 -var vseed 22439354 ### run.sh v3.7 started at Wed Jul 31 10:20:08 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/02/00 cd data/00/a-pp/280/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439355 -var vseed 22439356 ### run.sh v3.7 started at Wed Jul 31 10:20:08 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/02/00 cd data/00/a-pp/285/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439357 -var vseed 22439358 ### run.sh v3.7 started at Wed Jul 31 10:20:09 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/02/00 cd data/00/a-pp/290/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439359 -var vseed 22439360 ### run.sh v3.7 started at Wed Jul 31 10:20:09 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/02/00 cd data/00/a-pp/295/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439361 -var vseed 22439362 ### run.sh v3.7 started at Wed Jul 31 10:20:09 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/02/00 cd data/00/a-pp/300/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439363 -var vseed 22439364 ### run.sh v3.7 started at Wed Jul 31 10:20:09 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/02/00 cd data/00/a-ps/#/02/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439365 -var vseed 22439366 ### run.sh v3.7 started at Wed Jul 31 10:20:10 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./02/00 cd data/00/a-ps/e.g./02/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439367 -var vseed 22439368 ### run.sh v3.7 started at Wed Jul 31 10:20:10 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/02/00 cd data/00/a-ps/s:200:300:5/02/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439369 -var vseed 22439370 ### run.sh v3.7 started at Wed Jul 31 10:20:10 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/02/00 cd data/00/a-ps/generates/02/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439371 -var vseed 22439372 ### run.sh v3.7 started at Wed Jul 31 10:20:10 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/02/00 cd data/00/a-ps/a/02/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439373 -var vseed 22439374 ### run.sh v3.7 started at Wed Jul 31 10:20:10 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/02/00 cd data/00/a-ps/sequence/02/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439375 -var vseed 22439376 ### run.sh v3.7 started at Wed Jul 31 10:20:11 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/03/00 cd data/00/a-pp/210/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439377 -var vseed 22439378 ### run.sh v3.7 started at Wed Jul 31 10:20:11 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/03/00 cd data/00/a-pp/215/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439379 -var vseed 22439380 ### run.sh v3.7 started at Wed Jul 31 10:20:11 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/03/00 cd data/00/a-pp/220/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439381 -var vseed 22439382 ### run.sh v3.7 started at Wed Jul 31 10:20:11 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/03/00 cd data/00/a-pp/225/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439383 -var vseed 22439384 ### run.sh v3.7 started at Wed Jul 31 10:20:11 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/03/00 cd data/00/a-pp/230/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439385 -var vseed 22439386 ### run.sh v3.7 started at Wed Jul 31 10:20:12 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/03/00 cd data/00/a-pp/235/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439387 -var vseed 22439388 ### run.sh v3.7 started at Wed Jul 31 10:20:12 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/03/00 cd data/00/a-pp/240/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439389 -var vseed 22439390 ### run.sh v3.7 started at Wed Jul 31 10:20:12 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/03/00 cd data/00/a-pp/245/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439391 -var vseed 22439392 ### run.sh v3.7 started at Wed Jul 31 10:20:12 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/03/00 cd data/00/a-pp/250/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439393 -var vseed 22439394 ### run.sh v3.7 started at Wed Jul 31 10:20:13 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/03/00 cd data/00/a-pp/255/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439395 -var vseed 22439396 ### run.sh v3.7 started at Wed Jul 31 10:20:13 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/03/00 cd data/00/a-pp/260/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439397 -var vseed 22439398 ### run.sh v3.7 started at Wed Jul 31 10:20:13 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/03/00 cd data/00/a-pp/265/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439399 -var vseed 22439400 ### run.sh v3.7 started at Wed Jul 31 10:20:13 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/03/00 cd data/00/a-pp/270/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439401 -var vseed 22439402 ### run.sh v3.7 started at Wed Jul 31 10:20:13 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/03/00 cd data/00/a-pp/275/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439403 -var vseed 22439404 ### run.sh v3.7 started at Wed Jul 31 10:20:14 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/03/00 cd data/00/a-pp/280/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439405 -var vseed 22439406 ### run.sh v3.7 started at Wed Jul 31 10:20:14 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/03/00 cd data/00/a-pp/285/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439407 -var vseed 22439408 ### run.sh v3.7 started at Wed Jul 31 10:20:14 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/03/00 cd data/00/a-pp/290/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439409 -var vseed 22439410 ### run.sh v3.7 started at Wed Jul 31 10:20:14 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/03/00 cd data/00/a-pp/295/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439411 -var vseed 22439412 ### run.sh v3.7 started at Wed Jul 31 10:20:14 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/03/00 cd data/00/a-pp/300/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439413 -var vseed 22439414 ### run.sh v3.7 started at Wed Jul 31 10:20:15 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/03/00 cd data/00/a-ps/#/03/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439415 -var vseed 22439416 ### run.sh v3.7 started at Wed Jul 31 10:20:15 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./03/00 cd data/00/a-ps/e.g./03/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439417 -var vseed 22439418 ### run.sh v3.7 started at Wed Jul 31 10:20:15 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/03/00 cd data/00/a-ps/s:200:300:5/03/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439419 -var vseed 22439420 ### run.sh v3.7 started at Wed Jul 31 10:20:15 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/03/00 cd data/00/a-ps/generates/03/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439421 -var vseed 22439422 ### run.sh v3.7 started at Wed Jul 31 10:20:15 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/03/00 cd data/00/a-ps/a/03/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439423 -var vseed 22439424 ### run.sh v3.7 started at Wed Jul 31 10:20:16 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/03/00 cd data/00/a-ps/sequence/03/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439425 -var vseed 22439426 ### run.sh v3.7 started at Wed Jul 31 10:20:16 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/210/04/00 cd data/00/a-pp/210/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439427 -var vseed 22439428 ### run.sh v3.7 started at Wed Jul 31 10:20:16 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/215/04/00 cd data/00/a-pp/215/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439429 -var vseed 22439430 ### run.sh v3.7 started at Wed Jul 31 10:20:16 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/220/04/00 cd data/00/a-pp/220/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439431 -var vseed 22439432 ### run.sh v3.7 started at Wed Jul 31 10:20:17 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/225/04/00 cd data/00/a-pp/225/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439433 -var vseed 22439434 ### run.sh v3.7 started at Wed Jul 31 10:20:17 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/230/04/00 cd data/00/a-pp/230/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439435 -var vseed 22439436 ### run.sh v3.7 started at Wed Jul 31 10:20:17 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/235/04/00 cd data/00/a-pp/235/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439437 -var vseed 22439438 ### run.sh v3.7 started at Wed Jul 31 10:20:17 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/240/04/00 cd data/00/a-pp/240/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439439 -var vseed 22439440 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/245/04/00 cd data/00/a-pp/245/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439441 -var vseed 22439442 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/250/04/00 cd data/00/a-pp/250/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439443 -var vseed 22439444 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/255/04/00 cd data/00/a-pp/255/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439445 -var vseed 22439446 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/260/04/00 cd data/00/a-pp/260/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439447 -var vseed 22439448 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/265/04/00 cd data/00/a-pp/265/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439449 -var vseed 22439450 ### run.sh v3.7 started at Wed Jul 31 10:20:18 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/270/04/00 cd data/00/a-pp/270/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439451 -var vseed 22439452 ### run.sh v3.7 started at Wed Jul 31 10:20:19 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/275/04/00 cd data/00/a-pp/275/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439453 -var vseed 22439454 ### run.sh v3.7 started at Wed Jul 31 10:20:19 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/280/04/00 cd data/00/a-pp/280/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439455 -var vseed 22439456 ### run.sh v3.7 started at Wed Jul 31 10:20:19 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/285/04/00 cd data/00/a-pp/285/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439457 -var vseed 22439458 ### run.sh v3.7 started at Wed Jul 31 10:20:19 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/290/04/00 cd data/00/a-pp/290/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439459 -var vseed 22439460 ### run.sh v3.7 started at Wed Jul 31 10:20:19 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/295/04/00 cd data/00/a-pp/295/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439461 -var vseed 22439462 ### run.sh v3.7 started at Wed Jul 31 10:20:20 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-pp/300/04/00 cd data/00/a-pp/300/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439463 -var vseed 22439464 ### run.sh v3.7 started at Wed Jul 31 10:20:20 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/#/04/00 cd data/00/a-ps/#/04/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439465 -var vseed 22439466 ### run.sh v3.7 started at Wed Jul 31 10:20:20 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/e.g./04/00 cd data/00/a-ps/e.g./04/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439467 -var vseed 22439468 ### run.sh v3.7 started at Wed Jul 31 10:20:20 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/s:200:300:5/04/00 cd data/00/a-ps/s:200:300:5/04/00 cp ../build/atom.in . cp: ../build/atom.in: No such file or directory run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439469 -var vseed 22439470 ### run.sh v3.7 started at Wed Jul 31 10:20:21 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/generates/04/00 cd data/00/a-ps/generates/04/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439471 -var vseed 22439472 ### run.sh v3.7 started at Wed Jul 31 10:20:21 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/a/04/00 cd data/00/a-ps/a/04/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439473 -var vseed 22439474 ### run.sh v3.7 started at Wed Jul 31 10:20:21 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### data/00/a-ps/sequence/04/00 cd data/00/a-ps/sequence/04/00 cp ../build/atom.in . run.sh -memory default -ppn default -n 20 -walltime 24:00:00 -starttime now -queue local -input atom.in -output atom.out -project atom lmp_ -nocite -var source ../build -var frestart 0 -var restart @FILE -var lseed 22439475 -var vseed 22439476 ### run.sh v3.7 started at Wed Jul 31 10:20:21 CDT 2024 ### ERROR: 'lmp_' not found cd /Users/wyattkuehster/Desktop/project ### finished at Wed Jul 31 10:20:21 CDT 2024