- Email: Mark.J.Abraham@gmail.com
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- Last connection: 09/05/2016
- 08:25 PM GROMACS Bug #2051: gmxTestCXX11 can fail because of linker issue
- We use std::thread in the code, so we need to test it during cmake, so shouldn't do only 2) without code changes. Thr...
- 11:28 AM GROMACS Revision 9e8ff36e: Preliminary clean up of NVML code
- Restructured logic so that it's simpler - there's multiple reasons why
we might not be able to change clocks, so now ...
- 12:44 PM GROMACS Revision 73d91d6c: Merge branch release-5-1 into release-2016
- Trivial conflicts in minimize.cpp from bug fix in same region that now
has exceptions caught within an OpenMP region....
- 10:10 AM GROMACS Bug #2047 (Closed): Inconsistency for HISD charges for OPLS-AA/L
- 10:07 AM GROMACS Revision 9de0ecab: Bumped patch number to prepare for future 5.1.5 release
- Change-Id: I37e3120ec8ab257f0aeb1cf137dff27391e0689f
- 10:03 AM GROMACS Bug #2047 (Resolved): Inconsistency for HISD charges for OPLS-AA/L
- Applied in changeset commit:01f25ad524b808ec62c5f4f6b9afeb012b75c042.
- 05:22 PM GROMACS Revision f8032876: Version 5.1.4
- Bumped SOVERSION_MINOR and REGRESSIONTEST_HASH
- 05:21 PM GROMACS Revision 01f25ad5: Removed HIS1 from oplsaa and charmm definitions
- HIS1 is intended for linking with heme, which oplsaa doesn't
define. charmm converts HIS1 to HSD in its .r2b.
- 03:31 PM GROMACS Task #2012: Bump required version numbers of infrastructure
- Leaving this issue open until we decide if/when we're doing another user survey.
Upon reflection, I think the only...
- 03:23 PM GROMACS Bug #1919: static linking issues cause by hwloc support
- We should consider Szilard's suggestion for "Turning off hwloc if GMX_PREFER_STATIC_LIBS=ON" and documenting when and...
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