LAMMPS

LAMMPS may be run by loading the lmp_openmpi module and the openmpi/gcc module

module load openmpi/gcc/64/1.10.1 gcc/5.2.0 lammps/30Mar18
# change 40 to the number of threads. We recommend multiples of 20
salloc -n 40
# where script.in is your input script, example scripts are in /cm/share/apps/lamps/30Mar18/examples
mpirun lmp_openmp<script.in

 

Posted in How-To-Guides, HPC
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