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Merge branch 'v2.9'
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GiovanniBussi committed May 22, 2023
2 parents bed50cc + 027d289 commit c7a505d
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Showing 4 changed files with 15 additions and 3 deletions.
4 changes: 3 additions & 1 deletion .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -134,7 +134,9 @@ 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" >> $GITHUB_ENV
pip install --user mpi4py
python -c "import mpi4py"
- name: Build PLUMED
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4 changes: 4 additions & 0 deletions docker/centos7
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Expand Up @@ -24,6 +24,10 @@ COPY plumed2.tgz /home/plumed
RUN . /etc/bashrc \
&& module load mpi \
&& export OMPI_MCA_btl_base_warn_component_unused=0 \
&& export OMPI_MCA_btl_base_verbose=0 \
&& export OMPI_MCA_plm=isolated \
&& export OMPI_MCA_btl_vader_single_copy_mechanism=none \
&& export OMPI_MCA_rmaps_base_oversubscribe=yes \
&& export PATH=$HOME/opt/bin:$PATH \
&& export CPATH=$HOME/opt/include:$CPATH \
&& export INCLUDE=$HOME/opt/include:$INCLUDE \
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5 changes: 4 additions & 1 deletion docker/fedora37
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Expand Up @@ -27,7 +27,10 @@ COPY plumed2.tgz /home/plumed
RUN . /etc/bashrc \
&& module load mpi \
&& export OMPI_MCA_btl_base_warn_component_unused=0 \
&& export MPIEXEC="mpirun --oversubscribe" \
&& export OMPI_MCA_btl_base_verbose=0 \
&& export OMPI_MCA_plm=isolated \
&& export OMPI_MCA_btl_vader_single_copy_mechanism=none \
&& export OMPI_MCA_rmaps_base_oversubscribe=yes \
&& export PATH=$HOME/opt/bin:$PATH \
&& export CPATH=$HOME/opt/include:$CPATH \
&& export INCLUDE=$HOME/opt/include:$INCLUDE \
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5 changes: 4 additions & 1 deletion docker/rocky8
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,10 @@ COPY plumed2.tgz /home/plumed
RUN . /etc/bashrc \
&& module load mpi \
&& export OMPI_MCA_btl_base_warn_component_unused=0 \
&& export MPIEXEC="mpirun --oversubscribe" \
&& export OMPI_MCA_btl_base_verbose=0 \
&& export OMPI_MCA_plm=isolated \
&& export OMPI_MCA_btl_vader_single_copy_mechanism=none \
&& export OMPI_MCA_rmaps_base_oversubscribe=yes \
&& export PATH=$HOME/opt/bin:$PATH \
&& export CPATH=$HOME/opt/include:$CPATH \
&& export INCLUDE=$HOME/opt/include:$INCLUDE \
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