Signatures: # -rwxr-xr-x 1 wpurwant users 520 2020-03-10 14:39:05 qe-6.3 # -rwxr-xr-x 1 wpurwant users 514 2020-03-10 14:29:54 qe-6.4 # -rwxr-xr-x 1 wpurwant users 531 2020-03-10 14:28:29 qe-6.4-intel # bda38c3efc9bb0f83db351924e06da43 qe-6.3 # 2b2e9ec9c641dd60206776a5a80c75a3 qe-6.4 # 083455403fa47897c4d6e7ce6d591f9a qe-6.4-intel # 8d29ad9caa756b55747e58a06c39aa59576a896b qe-6.3 # 1443cdb47e4340be1106d4e80ba3dc47717d9ca1 qe-6.4 # 1bf39ffc828cdc784658ea510fbda0602d34e237 qe-6.4-intelmaster
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e9597af157
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#!/bin/bash -l |
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module load openmpi/3.1.4 |
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module load quantum-espresso/6.3 |
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name=`basename $0` |
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if [ $# -ne 3 ]; then |
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echo "Usage: $name [number of processors {1 - 256}] [inputfile] [outputfile]" |
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echo |
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echo "Example: $name 4 data.in results.out" |
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exit -1 |
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fi |
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#export I_MPI_PMI_LIBRARY=/cm/shared/applications/slurm/current/lib/libpmi.so |
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nohup /shared/apps/common/slurm/19-05-0-1-l46y/bin/salloc \ |
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--job-name=QE-SUB \ |
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--ntasks=$1 \ |
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--exclusive \ |
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srun -n $1 pw.x -i $2 > $3 & |
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disown |
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#!/bin/bash -l |
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module load openmpi/3.1.4 |
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module load quantum-espresso/6.4.1 |
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name=`basename $0` |
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if [ $# -ne 3 ]; then |
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echo "Usage: $name [number of processors {1 - 256}] [inputfile] [outputfile]" |
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echo |
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echo "Example: $name 4 data.in results.out" |
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exit -1 |
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fi |
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#export I_MPI_PMI_LIBRARY=/cm/shared/applications/slurm/current/lib/libpmi.so |
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nohup /shared/apps/common/slurm/current/bin/salloc \ |
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--job-name=QE-SUB \ |
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--ntasks=$1 \ |
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--exclusive \ |
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srun -n $1 pw.x -i $2 > $3 & |
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disown |
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#!/bin/bash -l |
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module load intel/19 intel-mpi/2019.4.243 |
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module load quantum-espresso/6.4.1 |
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name=`basename $0` |
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if [ $# -ne 3 ]; then |
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echo "Usage: $name [number of processors {1 - 256}] [inputfile] [outputfile]" |
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echo |
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echo "Example: $name 4 data.in results.out" |
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exit -1 |
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fi |
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#export I_MPI_PMI_LIBRARY=/cm/shared/applications/slurm/current/lib/libpmi.so |
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nohup /shared/apps/common/slurm/current/bin/salloc \ |
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--job-name=QE-SUB \ |
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--ntasks=$1 \ |
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--exclusive \ |
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srun -n $1 pw.x -i $2 > $3 & |
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disown |
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