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runme.sh
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Created
Thu, Aug 15, 02:20
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554 B
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text/x-shellscript
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Sat, Aug 17, 02:20 (2 d)
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R195 SCITAS application benchmarks
runme.sh
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#!/bin/bash -l
CPMD
=
`
pwd
`
/CPMD/BIN/cpmd.x
# Preprocessing
[
-d WO
]
||
mkdir WO
export
OMP_NUM_THREADS
=
1
export
I_MPI_DEBUG
=
4
export
I_MPI_STATS
=
ipm
cd
WO
mpirun -np 2
$CPMD
../INPF/WO.inp ../PPs >& WO.log
cd
..
# the actual runs
for
i in
`
cat ../cores.txt
`
;
do
if
[
"$i"
-lt 4
]
then
continue
fi
CPU
=
`
cat /proc/cpuinfo | grep
"model name"
| awk
'{print $7}'
| tail -1
`
mkdir BO
${
i
}
cd
BO
${
i
}
cp ../GEOM/GEOMETRY ./
cp ../WO/RESTART.1 ../WO/LATEST ./
mpirun -np
$i
$CPMD
../INPF/BO.inp ../PPs >&
${
CPU
}
-BO
${
i
}
.log
cd
..
done
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