mirror of https://github.com/QMCPACK/qmcpack.git
10 lines
398 B
Bash
Executable File
10 lines
398 B
Bash
Executable File
#!/bin/bash
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#COBALT -q qmcpack
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#COBALT -A QMCPACK-training
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#COBALT -n 32
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#COBALT -t 60
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#COBALT -O O.q0.dft
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LOCARGS="--block $COBALT_PARTNAME ${COBALT_CORNER:+--corner} $COBALT_CORNER ${COBALT_SHAPE:+--shape} $COBALT_SHAPE"
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echo "Cobalt location args: $LOCARGS" >&2
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runjob --np 512 -p 16 $LOCARGS --verbose=INFO --envs OMP_NUM_THREADS=1 : /soft/applications/qmcpack/Binaries/pw.x -input O.q0.dft.in
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