| commit | a18e551901e83494c5bd686134fc98fcdf530032 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 9 Aug 2017 15:07:11 +0000 (9 17:07 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 4 Sep 2017 16:31:23 +0000 (4 18:31 +0200) | ||
| tree | f666678d0eb7c3561bdbd32a829e0bc9f19416bc | treesnapshot (tar.gz zip) |
| parent | 9a73b267e25ddc35339431081cac59c93580b6f8 | commitdiff |
Fix two nbnxn search indexing bugs
The conversion for nbnxn i-cluster indexing to j-cluster indexing
in the SIMD cluster list generation code was incorrect for the
(common) case where the j-cluster size is 8 (i is always 4).
This bug was compensated by a bug that caused the input j-cluster
range, in terms of i-cluster size, to be to wide by 1 at both ends.
This change fixes both bugs, which leads to slightly fewer distance
checks.
Note that because of the compensating bugs, the pair-lists have
always been fully correct.
Change-Id: I79ff95d71880dc53305dbbf9282487895be71ed9
The conversion for nbnxn i-cluster indexing to j-cluster indexing
in the SIMD cluster list generation code was incorrect for the
(common) case where the j-cluster size is 8 (i is always 4).
This bug was compensated by a bug that caused the input j-cluster
range, in terms of i-cluster size, to be to wide by 1 at both ends.
This change fixes both bugs, which leads to slightly fewer distance
checks.
Note that because of the compensating bugs, the pair-lists have
always been fully correct.
Change-Id: I79ff95d71880dc53305dbbf9282487895be71ed9
| src/gromacs/mdlib/nbnxn_search.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/nbnxn_search_simd_2xnn.h | diffblobblamehistory | |
| src/gromacs/mdlib/nbnxn_search_simd_4xn.h | diffblobblamehistory |