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submit_kraken_all.sh
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Mon, Sep 30, 18:04
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text/x-shellscript
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Wed, Oct 2, 18:04 (1 d, 23 h)
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rLAMMPS lammps
submit_kraken_all.sh
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#!/bin/sh
#PBS -A <project>
#PBS -N sds-all
#PBS -l size=96
#PBS -j oe
#PBS -l walltime=01:00:00
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.sds-cpu -log log.sds-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.sds-omp -log log.sds-omp-
${
s
}
m
${
t
}
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.sds-cpu -log log.sds-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.sds-omp -log log.sds-omp-
${
s
}
m
${
t
}
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.sds-cpu -log log.sds-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.sds-omp -log log.sds-omp-
${
s
}
m
${
t
}
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.sds-cpu -log log.sds-cpu-
${
s
}
m
${
t
}
t
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