job_script_MOAB

#!/bin/bash

###Sample (e.g. for Cosmos computer)
###Python script replace ##..## placeholders with values given python script

#PBS -q ##QUEUE##
#PBS -l nodes=##NUMNODES##:ppn=##PPN##     # No. processors required
#PBS -l walltime=##WALLTIME## # wall clock time required
#PBS -N ##JOBNAME##
#PBS -V

cd ##ROOTDIR##

echo Running on host `hostname`
echo Time is `date`
echo Directory is `pwd`
echo Job ID is $PBS_JOBID

export OMP_NUM_THREADS=##OMP##
export I_MPI_PIN=##ONERUN##
export I_MPI_PIN_DOMAIN=omp:compact
export I_MPI_PIN_ORDER=scatter
export I_MPI_CPUINFO=proc
export KMP_LIBRARY=throughput
export KMP_STACKSIZE=1gb
export OMP_NESTED=FALSE

###set things to be used by the python script, which extracts text from here with ##XX: ... ##
### command to use for each run in the batch
##RUN: time mpirun -np ##NUMMPI## omplace -nt ##OMP## ##PROGRAM## ##INI## > ./scripts/##INIBASE##.log 2>&1 ##
### qsub command to use when submitting
##DEFAULT_qsub: msub ##
##DEFAULT_queue: super2 ##
##DEFAULT_qdel: canceljob ##

###put the generated run commands here
##COMMAND##

#wait for processes to finish
wait