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(parent: 0292846) | patch
Fixed PME bug with high OpenMP thread count
authorBerk Hess <hess@kth.se>
Sat, 2 Aug 2014 08:53:31 +0000 (10:53 +0200)
committerBerk Hess <hess@kth.se>
Sat, 2 Aug 2014 11:55:43 +0000 (13:55 +0200)
commit27189bbaad21147893b239b2457843f515e69d77
tree39b6d947de316b0a116df20787ed6a828a18691atree | snapshot
parent0292846bea5e51ba1390cff81c23491f73287a6ecommit | diff
Fixed PME bug with high OpenMP thread count

PME energies and forces could be incorrect with combined MPI+OpenMP
parallelization. This would, only, happen when
pmegrids->nthread_comm[YY] >= 2, which can only occur with high OpenMP
thread count with multiple large prime factors.
It's unlikely that this issue affected production runs.

Fixes #1572.

Change-Id: I03b38c279c8f8ab2e111dad0976edad88b3ea93b
src/mdlib/pme.c diff | blob | history
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