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en:services:application_services:high_performance_computing:orca [2019/04/29 14:00]
mboden [Using ORCA]
en:services:application_services:high_performance_computing:orca [2019/05/14 13:12]
mboden [Using ORCA]
Line 35: Line 35:
 #SBATCH -t 1-00:00:00 #SBATCH -t 1-00:00:00
 #SBATCH --ntasks-per-node=20 #SBATCH --ntasks-per-node=20
-#SBATCH --signal=12@600+#SBATCH --signal=B:12@600
  
 INPUTFILE=test.inp INPUTFILE=test.inp
Line 47: Line 47:
 cd $TMP_LOCAL cd $TMP_LOCAL
  
-$ORCA_PATH/​orca ${INPUTFILE}+$ORCA_PATH/​orca ${INPUTFILE} ​
 +wait
  
 srun -n ${SLURM_JOB_NUM_NODES} --ntasks-per-node=1 cp -af ${TMP_LOCAL}/​* ${work}/ >/​dev/​null 2>&1 srun -n ${SLURM_JOB_NUM_NODES} --ntasks-per-node=1 cp -af ${TMP_LOCAL}/​* ${work}/ >/​dev/​null 2>&1