Hi!
I’ve installed openmpi 1.8.6 on my 64 bit OpenSuse system. Then, I installed lammps-1April2015:
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cd lammps-file/src/STUBS
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make
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cd …
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make serial (I tried make mpi too!)
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cp lmp_serial …/…/
After that, I get the following error for lmp_mpi:
linux-sdq3:/home/lab/lammps/lammps-15May15 # ./lmp_mpi < in.micelle
./lmp_mpi: error while loading shared libraries: libmpi_cxx.so.1: cannot open shared object file: No such file or directory
I tried using lmp_serial. It works well for in.micelle but when I use it it does not recognize reax/c or any reax related commands (I’ve also tried installing older versions for linux and got the same error):
linux-sdq3:/home/lab/lammps/lammps-15May15 # ./lmp_serial < in.file LAMMPS (15 May 2015)
Reading data file …
orthogonal box = (0 0 0) to (1883.17 1883.17 1883.17)
1 by 1 by 1 MPI processor grid
reading atoms …
28000 atoms
Finding 1-2 1-3 1-4 neighbors …
Special bond factors lj: 0 0 0
Special bond factors coul: 0 0 0
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
ERROR: Unknown pair style (…/force.cpp:176)
My starting parts of my in.file is as bellow:
log ./log.lammps
units real
boundary p p p
atom_style full
read_data data.file
pair_style reax/c lmp_control
checkqeq yes safezone 1.8 mincap 150
pair_coeff * * ffield.reax.rdx C H O
neighbor 2 bin
neigh_modify every 10 delay 0 check yes
fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c
I’ve succeeded to run the same file on Windows. How can I solve the issue?
Best regards,
Sarah K.