HECBioSim Script for Young.

UCL-RITS · Jul 31, 2020 · 653ffef · 653ffef
1 parent d53e680
commit 653ffef
Showing 1 changed file with 15 additions and 0 deletions.
diff --git a/Applications/LAMMPS/HECBioSim/scripts/young-lammps-intel-80cores.sh b/Applications/LAMMPS/HECBioSim/scripts/young-lammps-intel-80cores.sh
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+#!/bin/bash -l
+
+#$ -l h_rt=6:00:00
+#$ -l mem=4000M
+#$ -cwd
+#$ -pe mpi 80
+
+#$ -A Test_allocation
+#$ -P Free
+
+module load default-modules/2018
+module load lammps/7Aug19/userintel/intel-2018
+
+export KMP_BLOCKTIME=0
+gerun `which lmp_default` -pk intel 0 omp 1 -sf intel -in benchmark.in.intel