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Why use MPI? Why not threads?

April 26, 2017MPI threads

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Why use MPI? Why not threads?

2 Answers

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None of our engines are written to be thread-safe or multi-threaded. The only parallelizable codes (Gromacs and AMBER) both use MPI. Making Gromacs use only threads for parallelization isn’t possible right now (we talk with the Gromacs developers frequently on this issue), so MPI is the only solution.

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Posted

None of our engines are written to be thread-safe or multi-threaded. The only parallelizable codes (Gromacs and AMBER) both use MPI. Making Gromacs use only threads for paralellization isn’t possible right now (we talk with the Gromacs developers frequently on this issue), so MPI is the only solution.