| commit | a46c96c60c338b87d05e448c54bd84024ba00f06 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 28 Feb 2018 13:09:33 +0000 (28 14:09 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Mon, 5 Mar 2018 21:32:31 +0000 (5 22:32 +0100) | ||
| tree | 8c57494459fd6f505357cd8973453c5c8740dce1 | treesnapshot (tar.gz zip) |
| parent | 70e7467caba7719bd1f360e109d50f1be105094d | commitdiff |
Work around gcc bug with group kernel tables
The LJ-only interaction tables for the group kernels were incorrectly
copied with the combination of gcc-6, AVX and -O3.
Since this bug replaced -1/(6 r^6), 1/(12 r^-12) by 1/r,-1/(6 r^6)
for odd table indices, this could not cause silent errors.
Fixes #2424
Change-Id: I021d4f2fe81bd635e6f02686118d661af8c444a6
The LJ-only interaction tables for the group kernels were incorrectly
copied with the combination of gcc-6, AVX and -O3.
Since this bug replaced -1/(6 r^6), 1/(12 r^-12) by 1/r,-1/(6 r^6)
for odd table indices, this could not cause silent errors.
Fixes #2424
Change-Id: I021d4f2fe81bd635e6f02686118d661af8c444a6
| docs/release-notes/2018/2018.1.rst | diffblobblamehistory | |
| src/gromacs/mdlib/forcerec.cpp | diffblobblamehistory |