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CNMS
CNMS_Computing_Resources
Commits
e49c900b
Commit
e49c900b
authored
Mar 22, 2017
by
Doak, Peter W
Browse files
reducing runtime for test/example
parent
186d4043
Changes
1
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CADES/VASP/vasp_job.pbs
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e49c900b
...
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@@ -5,7 +5,7 @@
#PBS -N sample_job
#PBS -q batch
#PBS -l nodes=2:ppn=32:hw32
#PBS -l walltime=
4:0
0:00
#PBS -l walltime=
00:3
0:00
#PBS -l naccesspolicy=singlejob
#PBS -W group_list=cades-cnms
#PBS -l qos=condo
...
...
@@ -22,6 +22,6 @@ cat $PBS_NODEFILE >pbs_nodefile
#slower than they should. Refrain from using more than ~1 cpu per atom
#past 64 or 128 cores LSCALAPACK=.FALSE.
module load
env
/cades-cnms
module load vasp
module load vasp
/5.4.1.2
mpirun
-v
--report-bindings
${
VASP_MPI_FLAGS
}
$VASP
2>&1
>
vasp_out
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