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submit_kraken_all.sh
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Tue, Jul 30, 12:15
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text/x-shellscript
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Thu, Aug 1, 12:15 (2 d)
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rLAMMPS lammps
submit_kraken_all.sh
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#!/bin/sh
#PBS -A <project>
#PBS -N wat-all
#PBS -l size=192
#PBS -j oe
#PBS -l walltime=04:00:00
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.wat-cpu -var num 10 -log log.wat-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.wat-omp -var num 10 -log log.wat-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.wat-cpu -var num 10 -log log.wat-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.wat-omp -var num 10 -log log.wat-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.wat-cpu -var num 10 -log log.wat-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.wat-omp -var num 10 -log log.wat-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.wat-cpu -var num 10 -log log.wat-cpu-
${
s
}
m
${
t
}
t
env
OMP_NUM_THREADS
=
$t
aprun -n
$size
-S
$s
-d
$t
./lmp_kraken-omp -in in.wat-omp -var num 10 -log log.wat-omp-
${
s
}
m
${
t
}
t
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