| commit | 8e974b0eb5bc42cb870a69aa7008abf969bfef8a | |
| author | Szilard Pall <pszilard@cbr.su.se> | |
| Fri, 26 Sep 2014 09:53:35 +0000 (26 11:53 +0200) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Tue, 30 Sep 2014 18:49:07 +0000 (30 20:49 +0200) | ||
| tree | 8d6c9e4c0278e5e1f662984b03467c887e83e73c | treesnapshot (tar.gz zip) |
| parent | 95b9f1461089c8e677df8b2f948c7b851c436f3a | commitdiff |
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
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 | diffblobblamehistory |