qmcpack/labs/lab2_qmc_basics/oxygen_atom/reference/O.q1.dmc.qsub.in

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#!/bin/bash
#COBALT -q qmcpack
#COBALT -A QMCPACK-training
#COBALT -n 32
#COBALT -t 60
#COBALT -O O.q1.dmc
LOCARGS="--block $COBALT_PARTNAME ${COBALT_CORNER:+--corner} $COBALT_CORNER ${COBALT_SHAPE:+--shape} $COBALT_SHAPE"
echo "Cobalt location args: $LOCARGS" >&2
runjob --np 32 -p 1 $LOCARGS --verbose=INFO --envs OMP_NUM_THREADS=16 : /soft/applications/qmcpack/Binaries/qmcpack O.q1.dmc.in.xml