--- environment_variables.orig 2024-02-29 10:18:05 UTC +++ environment_variables @@ -66,12 +66,16 @@ # For this reason, a plain "diff" of your results against the reference # data may not work and human inspection of the results may be needed. -PREFIX=`cd ../../.. ; pwd` +if [ -z "$PREFIX" ]; then + echo "Please set the PREFIX environment variable" + exit 1 +fi # $PREFIX is the root of the Quantum ESPRESSO source tree. BIN_DIR=$PREFIX/bin -PSEUDO_DIR=$PREFIX/pseudo +PSEUDO_DIR=$PREFIX/share/quantum-espresso/pseudo +ESPRESSO_PSEUDO=/tmp # Beware: everything in $TMP_DIR will be destroyed ! -TMP_DIR=$PREFIX/tempdir +TMP_DIR=/tmp PARA_PREFIX=" " # PARA_PREFIX="mpirun -np 4" @@ -85,7 +89,7 @@ PARA_PREFIX=" " # -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)