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Installing Parallel version of gmx-rev
- clavila
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10 years 11 months ago #1633
by clavila
Installing Parallel version of gmx-rev was created by clavila
Dear all,
I started this thread with the hope to share experiences on how to compile a parallel version of the modified gromacs-3.3.1 program.
For instance, looking back into gromacs forums I found some reports stating that
gromacs 3.3.1 should be used in combination with openmpi 1.2.6 but not openmpi 1.3.0 and 1.3.1 which are broken
So, which version of MPI should give better results in terms of stability and performance? (OpenMPI?, LAM? MPICH?)
I started this thread with the hope to share experiences on how to compile a parallel version of the modified gromacs-3.3.1 program.
For instance, looking back into gromacs forums I found some reports stating that
gromacs 3.3.1 should be used in combination with openmpi 1.2.6 but not openmpi 1.3.0 and 1.3.1 which are broken
So, which version of MPI should give better results in terms of stability and performance? (OpenMPI?, LAM? MPICH?)
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- djurre
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10 years 11 months ago #1634
by djurre
Replied by djurre on topic Installing Parallel version of gmx-rev
A normal version of gmx331 does run in parallel. The modified version for reverse transformation only works serial. There is some work going on to change this. Sorry for the inconvenience.
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