NWChem/QA/Nightly_Jobscripts/EMSL_Chinook

#!/usr/bin/env bash
#MSUB -A mscfops
#MSUB -l "walltime=8:00:00"
#MSUB -l "nodes=2:ppn=8"
#MSUB -m ae
#MSUB -o doNightlyTests.out
#MSUB -e doNightlyTests.err
#MSUB -N doNightlyTests
#
source /etc/profile.d/modules.bash
#source /home/scicons/bin/set_modulepath.sh
module purge
module load precision/i8
module load portland
module load hpmpi
module load acml
module load moab
module load python
export NWCHEM_TOP=`pwd`/..
bcastf $NWCHEM_TOP/bin/LINUX64/nwchem /scratch/nwchem
export NONSTD_MPI=y
export MPIRUN_PATH="mpirun -srun -n 8 -N 2 --ntasks-per-node=4"
./doNightlyTests.mpi
Fix bash shebangs: make /usr/bin/env find bash in paths This is needed on FreeBSD and other systems where bash isn't located in /bin/bash. 2021-11-07 14:06:22 -08:00			`#!/usr/bin/env bash`
HvD: Changed the account for running the testcases to one that the Jenkins system is allowed to use. 2013-08-07 05:17:39 +00:00			`#MSUB -A mscfops`
HvD: Added the submission script for Chinook to be used by the Nightly build framework. This completes the set of things needed to start using this stuff. Now let's see if we can get this to work properly. 2013-08-01 06:03:34 +00:00			`#MSUB -l "walltime=8:00:00"`
			`#MSUB -l "nodes=2:ppn=8"`
			`#MSUB -m ae`
HvD: I have the feeling that msub works differently for the Jenkins user (the jobids are nicely sequentially numbered which normally never happens). Anyway it seems that the Jenkins build step cannot find the output from the tests job script which causes everything to fail. So I now specify the output file without any variable parts so it can have only one name and nothing else. We should be able to find that... 2013-08-07 22:31:23 +00:00			`#MSUB -o doNightlyTests.out`
			`#MSUB -e doNightlyTests.err`
HvD: Added the submission script for Chinook to be used by the Nightly build framework. This completes the set of things needed to start using this stuff. Now let's see if we can get this to work properly. 2013-08-01 06:03:34 +00:00			`#MSUB -N doNightlyTests`
			`#`
			`source /etc/profile.d/modules.bash`
HvD: Suppressed a script that caused problems before. 2013-08-08 06:57:03 +00:00			`#source /home/scicons/bin/set_modulepath.sh`
HvD: Added the submission script for Chinook to be used by the Nightly build framework. This completes the set of things needed to start using this stuff. Now let's see if we can get this to work properly. 2013-08-01 06:03:34 +00:00			`module purge`
			`module load precision/i8`
			`module load portland`
			`module load hpmpi`
			`module load acml`
			`module load moab`
			`module load python`
			export NWCHEM_TOP=`pwd`/..
			`bcastf $NWCHEM_TOP/bin/LINUX64/nwchem /scratch/nwchem`
			`export NONSTD_MPI=y`
			`export MPIRUN_PATH="mpirun -srun -n 8 -N 2 --ntasks-per-node=4"`
			`./doNightlyTests.mpi`