fix gcmc example failure...

The operating system is WSL Xenial (Ubuntu 16.04) under Windows 10.
I ran the gcmc example using a LAMMPS executable I built on openmpi 2.0.0 and fftw3.3.6-pl1 and lammps-31Mar17. I added packages mc class2 and rigid.
I built fftw as double precision. My output below errors out compared to a normal
completion shown in the example. My results are different too when compared to the example.

I’m thinking this is pilot error on my part.

Thanks in advance,

-bruce

[email protected]…12…6881…:/mnt/c/lammps/lammps-31Mar17/examples/gcmc2$ mpirun -np 4 ./lmp_udpmpi -in in.gcmc.co2
LAMMPS (31 Mar 2017)
Lattice spacing in x,y,z = 5 5 5
Created orthogonal box = (0 0 0) to (10 10 10)
1 by 2 by 2 MPI processor grid
Read molecule co2mol:
3 atoms with 2 types
2 bonds with 1 types
1 angles with 1 types
0 dihedrals with 0 types
0 impropers with 0 types
Created 24 atoms
24 atoms in group co2
8 rigid bodies with 24 atoms
1.16 = max distance from body owner to body atom
Ewald initialization …
WARNING: Using 12-bit tables for long-range coulomb (…/kspace.cpp:321)
G vector (1/distance) = 0.164636
estimated absolute RMS force accuracy = 0.0332064
estimated relative force accuracy = 0.0001
KSpace vectors: actual max1d max3d = 16 2 62
kxmax kymax kzmax = 2 2 2
WARNING: Fix gcmc using full_energy option (…/fix_gcmc.cpp:440)
0 atoms in group FixGCMC:gcmc_exclusion_group:mygcmc
0 atoms in group FixGCMC:rotation_gas_atoms:mygcmc
WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (…/neighbor.cpp:472)
Neighbor list info …
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 16
ghost atom cutoff = 16
binsize = 8, bins = 2 2 2
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair lj/cut/coul/long, perpetual
attributes: half, newton on
pair build: half/bin/newton
stencil: half/bin/3d/newton
bin: standard
Setting up Verlet run …
Unit style : real
Current step : 0
Time step : 1
Per MPI rank memory allocation (min/avg/max) = 15.4 | 15.4 | 15.4 Mbytes
Step Temp Press PotEng KinEng Density Atoms v_iacc v_dacc v_tacc v_racc
0 386.52184 23582.465 -3.2433417 14.209828 0.5846359 24 0 0 0 0
WARNING: Using kspace solver on system with no charge (…/kspace.cpp:289)
1000 760.80877 -39.270882 -3.5239626 12.851016 0.29231795 12 0.24161633 0.22984103 0.71087092 0.85283311
2000 308.0739 -255.061 -20.411926 14.386853 0.73079488 30 0.26075352 0.24898725 0.73128383 0.88590474
3000 432.34358 -1361.3278 -12.644057 15.894387 0.5846359 24 0.21121583 0.21051229 0.70036003 0.86735027
4000 631.524 -63.488785 -3.6517158 13.804656 0.36539744 15 0.22486443 0.22886173 0.72358173 0.87172606
5000 730.61244 -1029.284 -6.2144028 19.600352 0.43847693 18 0.23017182 0.22740779 0.72281887 0.87820845
6000 752.43412 503.4547 -3.7053679 16.447663 0.36539744 15 0.22943971 0.226183 0.71450085 0.87447436
7000 660.68448 828.51733 -10.592278 21.006666 0.51155641 21 0.24702096 0.24218506 0.71815602 0.8740222
8000 331.58795 -621.22148 -5.3705761 7.2482717 0.36539744 15 0.23211903 0.22906813 0.70281376 0.86269411
9000 413.91553 869.51604 -11.287013 15.216911 0.5846359 24 0.23246466 0.22923961 0.70832684 0.86244176
10000 242.20836 -808.23285 -5.4533902 5.2944987 0.36539744 15 0.22024676 0.22031775 0.70785097 0.85712561
11000 348.2002 -372.17106 -3.4663362 7.6114034 0.36539744 15 0.2252033 0.22688969 0.71513402 0.86123263
12000 251.99703 303.36048 -18.582756 11.768099 0.73079488 30 0.20916844 0.21068047 0.694787 0.84635875
13000 306.67795 -1578.9029 -20.808565 14.321663 0.73079488 30 0.19494837 0.196527 0.67554784 0.83025174
14000 557.25973 -605.29194 -7.5538489 17.718244 0.51155641 21 0.19031215 0.19276661 0.67677392 0.8324841
15000 193.27316 -520.83231 -0.51378173 1.344258 0.14615898 6 0.18627076 0.19011661 0.67533653 0.83454621
ERROR on proc 1: Non-numeric atom coords - simulation unstable (…/domain.cpp:521)
ERROR on proc 2: Non-numeric atom coords - simulation unstable (…/domain.cpp:521)
ERROR on proc 3: Non-numeric atom coords - simulation unstable (…/domain.cpp:521)
ERROR on proc 0: Non-numeric atom coords - simulation unstable (…/domain.cpp:521)