From da468c0e282d0a6497a645a8220f30e390218215 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Mon, 26 Feb 2018 23:33:31 +0100
Subject: [PATCH] Fix #336
---
patches/namd-2.8.config | 2 ++
patches/namd-2.9.config | 3 +++
patches/patch.sh | 15 ++++++++++-----
patches/qespresso-5.0.2.config | 2 ++
4 files changed, 17 insertions(+), 5 deletions(-)
diff --git a/patches/namd-2.8.config b/patches/namd-2.8.config
index c255576a2..f8c5843e4 100644
--- a/patches/namd-2.8.config
+++ b/patches/namd-2.8.config
@@ -11,3 +11,5 @@ function plumed_patch_info(){
echo ""
echo "For more information on NAMD you should visit http://www.ks.uiuc.edu/Research/namd/"
}
+
+plumed_ignore_mpi=yes
diff --git a/patches/namd-2.9.config b/patches/namd-2.9.config
index c255576a2..c28378451 100644
--- a/patches/namd-2.9.config
+++ b/patches/namd-2.9.config
@@ -11,3 +11,6 @@ function plumed_patch_info(){
echo ""
echo "For more information on NAMD you should visit http://www.ks.uiuc.edu/Research/namd/"
}
+
+plumed_ignore_mpi=yes
+
diff --git a/patches/patch.sh b/patches/patch.sh
index ece5948d8..633bd7301 100755
--- a/patches/patch.sh
+++ b/patches/patch.sh
@@ -57,6 +57,9 @@ save_originals=
quiet=
mdroot=
+# default value:
+plumed_ignore_mpi=no
+
for option
do
@@ -281,11 +284,13 @@ case "$action" in
echo "by the PLUMED_KERNEL environment variable"
fi
- echo ""
- if grep -q "D__PLUMED_HAS_MPI=1" "$PLUMED_ROOT"/src/config/compile_options.sh ; then
- echo "PLUMED is compiled with MPI support so you can configure $engine with MPI"
- else
- echo "PLUMED is compiled WITHOUT MPI support so you CANNOT configure $engine with MPI"
+ if [ "$plumed_ignore_mpi" = no ] ; then
+ echo ""
+ if grep -q "D__PLUMED_HAS_MPI=1" "$PLUMED_ROOT"/src/config/compile_options.sh ; then
+ echo "PLUMED is compiled with MPI support so you can configure $engine with MPI"
+ else
+ echo "PLUMED is compiled WITHOUT MPI support so you CANNOT configure $engine with MPI"
+ fi
fi
diff --git a/patches/qespresso-5.0.2.config b/patches/qespresso-5.0.2.config
index f7c7b6ff5..7c106efd7 100644
--- a/patches/qespresso-5.0.2.config
+++ b/patches/qespresso-5.0.2.config
@@ -21,3 +21,5 @@ function plumed_patch_info(){
echo "For more information on Quantum Espresso you should visit http://www.quantum-espresso.org"
}
+plumed_ignore_mpi=yes
+
--
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