diff --git a/Applications/LAMMPS/HECBioSim/scripts/young-lammps-intel-80cores.sh b/Applications/LAMMPS/HECBioSim/scripts/young-lammps-intel-80cores.sh new file mode 100644 index 0000000..6326bd4 --- /dev/null +++ b/Applications/LAMMPS/HECBioSim/scripts/young-lammps-intel-80cores.sh @@ -0,0 +1,15 @@ +#!/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