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OpenMPI

684 bytes added, 11:43, 28 May 2015
# Run relax in multi processor mode.
mpirun -np $NP $RELAX --multi='mpi4py' $argv
</source>
 
=== Script for force running relax on server computer with openmpi ===
<source lang="bash">
#!/bin/tcsh
 
# Set the lax version used for this script.
set RELAX=/sbinlab2/software/NMR-relax/relax_trunk/relax
 
# Set number of available CPUs.
#set NPROC=`nproc`
set NPROC=10
set NP=`echo $NPROC + 1 | bc `
 
# Run relax in multi processor mode.
set RELAXRUN="mpirun -np $NP $RELAX --multi='mpi4py' $argv"
 
# Check machine, since only machine haddock have openmpi-devel installed
if ( $HOST != "haddock") then
echo "You have to run on haddock. I do it for you"
ssh haddock -Y -t "cd $PWD; $RELAXRUN; /bin/tcsh"
else
mpirun -np $NP $RELAX --multi='mpi4py' $argv
endif
</source>
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