biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 587c629) | patch
Correct CUDA kernel energy flag
authorBerk Hess <hess@kth.se>
Mon, 2 Feb 2015 14:11:11 +0000 (15:11 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 4 Feb 2015 09:57:37 +0000 (10:57 +0100)
commit42bb5b30ffdf433642acdb0e36b87358e9965a51
treeadc627694b9eab02b06f5dc2c89bf547e32a6eeftree | snapshot
parent587c6292500a0424ecff5bd90cd5da475144fa58commit | diff
Correct CUDA kernel energy flag

The CUDA kernels calculated energies based on the GMX_FORCE_VIRIAL
flag. This did not cause errors, since (currently) GMX_FORCE_ENERGY
is always set when the virial flag is set. But using the latter flag
gives a small performance improvement when using pressure coupling.

Change-Id: If874e651058dc06c464f0fa810b17ba83146c9a3
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu diff | blob | history
Local GROMACS mirror with custom stuff