From 9018d9707f51bcfaebf1316bd770c363bde1810f Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Mon, 22 May 2023 14:59:51 +0200
Subject: [PATCH] Using better env var for openMPI

Basically taken from here:
https://github.com/conda-forge/plumed-feedstock/blob/0d057822a501fcc6490bd1b7e85e6ae48c363594/recipe/meta.yaml#L58-L60
---
 .github/workflows/ci.yml | 4 +++-
 docker/centos7           | 4 ++++
 docker/fedora34          | 5 ++++-
 3 files changed, 11 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 5ad8724f6f..eb9fe9370b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -120,7 +120,9 @@ jobs:
         echo "CXX=mpic++" >> $GITHUB_ENV
         echo "OMPI_MCA_btl_base_warn_component_unused=0" >> $GITHUB_ENV
         echo "OMPI_MCA_btl_base_verbose=0" >> $GITHUB_ENV
-        echo "MPIEXEC=mpirun --oversubscribe" >> $GITHUB_ENV
+        echo "OMPI_MCA_plm=isolated" >> $GITHUB_ENV
+        echo "OMPI_MCA_btl_vader_single_copy_mechanism=none" >> $GITHUB_ENV
+        echo "OMPI_MCA_rmaps_base_oversubscribe=yes" >> $GITHUB_ENV
         pip install --user mpi4py
         python -c "import mpi4py"
     - name: Build PLUMED
diff --git a/docker/centos7 b/docker/centos7
index 898d991a90..c197a5aacb 100644
--- a/docker/centos7
+++ b/docker/centos7
@@ -24,6 +24,10 @@ COPY plumed2.tgz /home/plumed
 RUN . /etc/bashrc \
  && module load mpi \
  && export OMPI_MCA_btl_base_warn_component_unused=0 \
+ && export OMPI_MCA_btl_base_verbose=0 \
+ && export OMPI_MCA_plm=isolated \
+ && export OMPI_MCA_btl_vader_single_copy_mechanism=none \
+ && export OMPI_MCA_rmaps_base_oversubscribe=yes \
  && export PATH=$HOME/opt/bin:$PATH \
  && export CPATH=$HOME/opt/include:$CPATH \
  && export INCLUDE=$HOME/opt/include:$INCLUDE \
diff --git a/docker/fedora34 b/docker/fedora34
index 67da7def97..b5acba1286 100644
--- a/docker/fedora34
+++ b/docker/fedora34
@@ -24,7 +24,10 @@ COPY plumed2.tgz /home/plumed
 RUN . /etc/bashrc \
  && module load mpi \
  && export OMPI_MCA_btl_base_warn_component_unused=0 \
- && export MPIEXEC="mpirun --oversubscribe" \
+ && export OMPI_MCA_btl_base_verbose=0 \
+ && export OMPI_MCA_plm=isolated \
+ && export OMPI_MCA_btl_vader_single_copy_mechanism=none \
+ && export OMPI_MCA_rmaps_base_oversubscribe=yes \
  && export PATH=$HOME/opt/bin:$PATH \
  && export CPATH=$HOME/opt/include:$CPATH \
  && export INCLUDE=$HOME/opt/include:$INCLUDE \