mirror of https://github.com/QMCPACK/qmcpack.git
14 lines
437 B
Bash
14 lines
437 B
Bash
#!/bin/bash
|
|
#COBALT -q default
|
|
#COBALT -A PSFMat
|
|
#COBALT -n 256
|
|
#COBALT -t 30
|
|
#COBALT -O vmc
|
|
|
|
LOCARGS="--block $COBALT_PARTNAME ${COBALT_CORNER:+--corner} $COBALT_CORNER ${COBALT_SHAPE:+--shape} $COBALT_SHAPE"
|
|
|
|
file_prefix=NiO-fcc-SXX-dmc
|
|
exe=/soft/applications/qmcpack/current/build_XL_real/bin/qmcpack
|
|
|
|
time runjob --np $COBALT_PARTSIZE -p 1 $LOCARGS --verbose=INFO --envs OMP_NUM_THREADS=16 : $exe $file_prefix.xml > $file_prefix.out
|