[gmx-users] Performance (GMX4.6.1): MPI vs Threads
schlesi at uni-mainz.de
Thu May 16 18:57:19 CEST 2013
if one performs a parallel calculation on a single node / computer with
more than 1 core, is there a speed difference between MPI and Threads?
Problem is for gromacs 4.6.1 i'm facing problems to link it to OpenMpi.
A serial version (without threads) worked, so i think i should be able
to compile a version which supports threads.
Since we only run calculations on a single node on our cluster (no
infini-band), i'm wondering if the programm with threads would be
sufficient in our case.
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