Running LOCI-CHEM
#!/bin/sh
#Change next line to request processors
#Change next line to request processors
#PBS -l nodes=3:ppn=4
##PBS -q default
#PBS -j oe
#PBS -l walltime=48:00:00
cpus=12
code=`which chem`
case=Purdue_injector6_hires
restart=q_hdf5.2000
cd $PBS_O_WORKDIR
lamboot -v
lamnodes C -c
date>>run.out
mpirun -np $cpus $code $case $restart < /dev/null >> run.out
date>>run.out
lamhalt
Notes:
- The default walltime is 1 hour, so if your code needs to run for longer then you need to specify the wall time. (the walltime in the above case is set to 48 hours)
- The code is set to use 12 cpu’s (nodes=3 and ppn=4 so 3*4=12, note that cups=12 must match)