chimie4psmn / submit / crystal / sub_prop14.csh
Historique | Voir | Annoter | Télécharger (827 octet)
| 1 | 6 | ltaulell | #!/bin/tcsh |
|---|---|---|---|
| 2 | 6 | ltaulell | |
| 3 | 6 | ltaulell | #$ -S /bin/tcsh |
| 4 | 6 | ltaulell | #$ -N LTaBND11 |
| 5 | 6 | ltaulell | #$ -pe openmp12 12 |
| 6 | 6 | ltaulell | #$ -q x5650lin24ibA,x5650lin24ibB,x5650lin24ibC |
| 7 | 6 | ltaulell | |
| 8 | 6 | ltaulell | # version: $Id$ |
| 9 | 6 | ltaulell | |
| 10 | 6 | ltaulell | source /usr/share/modules/init/tcsh |
| 11 | 6 | ltaulell | module use /applis/PSMN/Modules |
| 12 | 6 | ltaulell | module load Base/psmn |
| 13 | 6 | ltaulell | module load openmpi/1.6.4-intel-14.0.1 |
| 14 | 6 | ltaulell | |
| 15 | 6 | ltaulell | setenv HOMEDIR $SGE_O_WORKDIR |
| 16 | 6 | ltaulell | cd $HOMEDIR |
| 17 | 6 | ltaulell | |
| 18 | 6 | ltaulell | set INPUT=MgO.d12 |
| 19 | 6 | ltaulell | setenv CRY14_SCRDIR `echo $HOMEDIR | awk -F "/" '{$2="scratch"; for(j=2;j<=NF;j++) {printf("/%s",$j);} print ""} ' `/`basename $INPUT .d12`
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| 20 | 6 | ltaulell | /bin/mkdir -p $CRY14_SCRDIR |
| 21 | 6 | ltaulell | |
| 22 | 6 | ltaulell | setenv PREFIX /softs/openmpi-1.6.4-intel-14.0.1-debian7 |
| 23 | 6 | ltaulell | setenv MPIRUN mpirun |
| 24 | 6 | ltaulell | setenv HOSTFILE $TMPDIR/machines |
| 25 | 6 | ltaulell | /bin/cat $TMPDIR/machines > $HOMEDIR/tmp |
| 26 | 6 | ltaulell | |
| 27 | 6 | ltaulell | #setenv OMP_NUM_THREADS 1 |
| 28 | 6 | ltaulell | #setenv MKL_NUM_THREADS 1 |
| 29 | 6 | ltaulell | /home/ssteinma/softs/crystal14/bin/runmpi14 $NSLOTS $INPUT |
| 30 | 6 | ltaulell | /home/ssteinma/softs/crystal14/bin/runprop14 MgO MgO |
| 31 | 6 | ltaulell | |
| 32 | 6 | ltaulell | rm -fr $CRY14_SCRDIR |