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Replaced path to VASP dir to path to VASP executable (GK)

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This commit is contained in:
Oleg E. Peil 2016-12-31 14:49:05 +01:00
parent 05f9ba5e8a
commit f7fddb1f5c
1 changed files with 2 additions and 2 deletions
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4
shells/vasp_dmft.bash.in
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@ -18,7 +18,7 @@ Usage: vasp_dmft [-n <number of cores>] -i <number of iterations> [-p <path to V
" "
} }
while getopts ":n:i:" opt; do while getopts ":n:i:p:" opt; do
case $opt in case $opt in
n) n)
# echo "Option: Ncpu, argument: $OPTARG" # echo "Option: Ncpu, argument: $OPTARG"
@ -79,7 +79,7 @@ echo " Number of iterations: $NITER"
echo " Script name: $DMFT_SCRIPT" echo " Script name: $DMFT_SCRIPT"
rm -f vasp.lock rm -f vasp.lock
stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR/vasp" & stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR" &
PYTRIQS=@CMAKE_INSTALL_PREFIX@/bin/pytriqs PYTRIQS=@CMAKE_INSTALL_PREFIX@/bin/pytriqs