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--- 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)
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