--- environment_variables.orig 2018-07-04 09:14:20 UTC +++ environment_variables @@ -17,11 +17,14 @@ export LC_ALL # The following should be good for most cases -PREFIX=`cd ../../.. ; pwd` +if [ -z "$PREFIX" ]; then + echo "Please set the PREFIX environment variable" + exit 1 +fi BIN_DIR=$PREFIX/bin -PSEUDO_DIR=$PREFIX/pseudo +PSEUDO_DIR=$PREFIX/share/quantum-espresso/pseudo # Beware: everything in $TMP_DIR will be destroyed ! -TMP_DIR=$PREFIX/tempdir +TMP_DIR=/tmp # There should be no need to change anything below this line @@ -57,7 +60,7 @@ fi # parallelism, do not run on too many processors PARA_PREFIX=" " -PARA_PREFIX="mpirun -np 4" +#PARA_PREFIX="mpirun -np 4" # # available flags: # -ni n number of images (or -nimage) @@ -68,7 +71,7 @@ PARA_PREFIX="mpirun -np 4" # -nd n number of processors for linear algebra # (or -ndiag, -northo) # -PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " +#PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " # # The following variables are used for image parallelization of PHonon # (see example in PHonon/examples/Image_example)