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

opeil · opeil · commit f7fddb1f5cd2 · 2016-12-31T14:49:05.000+01:00
diff --git a/shells/vasp_dmft.bash.in b/shells/vasp_dmft.bash.in
@@ -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
      n)
 #        echo "Option: Ncpu, argument: $OPTARG"
@@ -79,7 +79,7 @@ echo "  Number of iterations: $NITER"
 echo "  Script name: $DMFT_SCRIPT"
 
 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
 

Original file line number	Diff line number	Diff line change
`@@ -18,7 +18,7 @@ Usage: vasp_dmft [-n <number of cores>] -i <number of iterations> [-p <path to V`
`18`	`18`	`"`
`19`	`19`	`}`
`20`	`20`
`21`		`-while getopts ":n:i:" opt; do`
	`21`	`+while getopts ":n:i:p:" opt; do`
`22`	`22`	`case $opt in`
`23`	`23`	`n)`
`24`	`24`	`# echo "Option: Ncpu, argument: $OPTARG"`
`@@ -79,7 +79,7 @@ echo " Number of iterations: $NITER"`
`79`	`79`	`echo " Script name: $DMFT_SCRIPT"`
`80`	`80`
`81`	`81`	`rm -f vasp.lock`
`82`		`-stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR/vasp" &`
	`82`	`+stdbuf -o 0 $MPIRUN_CMD -np $NPROC "$VASP_DIR" &`
`83`	`83`
`84`	`84`	`PYTRIQS=@CMAKE_INSTALL_PREFIX@/bin/pytriqs`
`85`	`85`