#!/bin/bash #COBALT -q qmcpack #COBALT -A QMCPACK-training #COBALT -n 32 #COBALT -t 60 #COBALT -O O.q1.opt 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.opt.in.xml