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(parent: 95b9f14) | patch
Fix incorrect LJ cut-off with GPU + PME tuning
authorSzilard Pall <pszilard@cbr.su.se>
Fri, 26 Sep 2014 09:53:35 +0000 (11:53 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 30 Sep 2014 18:49:07 +0000 (20:49 +0200)
commit8e974b0eb5bc42cb870a69aa7008abf969bfef8a
tree8d6c9e4c0278e5e1f662984b03467c887e83e73ctree | snapshot
parent95b9f1461089c8e677df8b2f948c7b851c436f3acommit | diff
Fix incorrect LJ cut-off with GPU + PME tuning

Due to the mismatch of the macro used in generating and implementing the
twin cut-off CUDA kernels (used with PP-PME load balancing), the VdW
cut-off check was not generated and the (larger) electrostatics cut-off
was enforced instead, causing incorrect results with PME tuning.

Fixes #1603

Change-Id: I43ae19968b30843cfe407e927a5cf0bd35c62881
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh diff | blob | history
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