[lammps-users] temper_command

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1

hello, I get an error:
"ERROR: Invalid command-line argument"

My mpi command line is:
mpirun -r ssh -l -np 16 lmp_linux -p 4x4 -in in.temper

My input file is:
# Created by charmm2lammps v1.8.1 on Thu Feb 25 22:09:22 CST 2010
neigh_modify delay 2 every 1
read_restart dnacnt7.restart3
pair_style lj/charmm/coul/long 8 10
pair_modify mix arithmetic
kspace_style pppm 1e-4
special_bonds charmm
velocity all create 0.0 12345678 dist uniform
thermo 1000
thermo_style custom step temp evdwl ecoul epair eangle emol etotal
timestep 2
restart 1000 dnacnt7.restart5 dnacnt7.restart6

dump 4 all atom 1000 dnacnt7_4.atom
variable t world 305.0 310.0 315.0 320.0
fix myfix all nvt $t $t 100.0
temper 50000 500 $t myfix 3847 58382
undump 4

I don't know what's my mistake.
Please let me know if I'm using correctly the temper command ?
thanks,
Alfredo Douglas.
Texas A&M PhD student

"Only a life lived for others is a life worthwhile." Albert Einstein

2

hello, I get an error:
"ERROR: Invalid command-line argument"

My mpi command line is:
mpirun -r ssh -l -np 16 lmp_linux -p 4x4 -in in.temper

My input file is:
# Created by charmm2lammps v1.8.1 on Thu Feb 25 22:09:22 CST 2010
neigh_modify delay 2 every 1
read_restart dnacnt7.restart3
pair_style lj/charmm/coul/long 8 10
pair_modify mix arithmetic
kspace_style pppm 1e-4
special_bonds charmm
velocity all create 0.0 12345678 dist uniform
thermo 1000
thermo_style custom step temp evdwl ecoul epair eangle emol etotal
timestep 2
restart 1000 dnacnt7.restart5 dnacnt7.restart6

dump 4 all atom 1000 dnacnt7_4.atom
variable t world 305.0 310.0 315.0 320.0
fix myfix all nvt $t $t 100.0
temper 50000 500 $t myfix 3847 58382
undump 4

I don't know what's my mistake.
Please let me know if I'm using correctly the temper command ?

the error comes from the lammps launch. not the input script.

please check whether your lammps version is 2Feb2011 or newer.
if not, you cannot abbreviate the -partition flag as -p.

axel.