mirror of https://github.com/QMCPACK/qmcpack.git
11 lines
435 B
Bash
Executable File
11 lines
435 B
Bash
Executable File
#!/bin/bash
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#COBALT -q default
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#COBALT -A QMCPACK
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#COBALT -n 1
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#COBALT -t 120
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#COBALT -O ppconv
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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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/home/yeluo/qmcdev/trunk/src/QMCTools/ppconvert/build/ppconvert --gamess_pot O.BFD.gamess --s_ref "1s(2)2p(4)" --p_ref "1s(2)2p(4)" --d_ref "1s(2)2p(4)" --log_grid --upf O.BFD.upf
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