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submit_kraken_all.sh
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Tue, Oct 1, 01:43
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text/x-shellscript
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Thu, Oct 3, 01:43 (2 d)
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rLAMMPS lammps
submit_kraken_all.sh
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#!/bin/sh
#PBS -A <project>
#PBS -N gb-all
#PBS -l size=192
#PBS -j oe
#PBS -l walltime=06:00:00
#PBS
set
-v
set
-x
cd
$PBS_O_WORKDIR
n
=
`
expr
$PBS_NNODES
/ 12
`
s
=
1
m
=
`
expr 2
\*
$s
`
t
=
`
expr 12 /
$m
`
size
=
`
expr
$n
\*
$m
`
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken -in in.gb-cpu -var len 40.0 -log log.gb-cpu-
${
t
}
m
${
s
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.gb-omp -var len 40.0 -log log.gb-omp-
${
t
}
m
${
s
}
t
s
=
2
m
=
`
expr 2
\*
$s
`
t
=
`
expr 12 /
$m
`
size
=
`
expr
$n
\*
$m
`
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken -in in.gb-cpu -var len 40.0 -log log.gb-cpu-
${
t
}
m
${
s
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.gb-omp -var len 40.0 -log log.gb-omp-
${
t
}
m
${
s
}
t
s
=
3
m
=
`
expr 2
\*
$s
`
t
=
`
expr 12 /
$m
`
size
=
`
expr
$n
\*
$m
`
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken -in in.gb-cpu -var len 40.0 -log log.gb-cpu-
${
t
}
m
${
s
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.gb-omp -var len 40.0 -log log.gb-omp-
${
t
}
m
${
s
}
t
s
=
6
m
=
`
expr 2
\*
$s
`
t
=
`
expr 12 /
$m
`
size
=
`
expr
$n
\*
$m
`
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken -in in.gb-cpu -var len 40.0 -log log.gb-cpu-
${
t
}
m
${
s
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.gb-omp -var len 40.0 -log log.gb-omp-
${
t
}
m
${
s
}
t
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