OpenMP

Sample job file for running a OpenMP job for single CPU:

File Name : openmp.cmd

#!/bin/bash

#@ output = test.out

#@ error = test.err

#@ job_type = MPICH

#@ class = Small

#@ node = 1

#@tasks_per_node = 8

#@ environment = COPY_ALL

#@ queue

Jobid=`echo $LOADL_STEP_ID | cut -f 6 -d .`

tmpdir=$HOME/scratch/job$Jobid

mkdir -p $tmpdir; cd $tmpdir

cp -R $LOADL_STEP_INITDIR/* $tmpdir

export OMP_NUM_THREADS=8

/sware/namd/NAMD_2.9_Linux-x86_64-ibverbs/namd2 inputfile > outfile

./a.out

mv ../job$Jobid $LOADL_STEP_INITDIR

In the command prompt, type the command, llsubmit openmp.cmd