Mark Abraham



Reported issues: 172


12:59 PM Gromacs Revision 7bc8d6d2: Remove CGLO_RERUNMD
Only one use of cglo_flags combines more than a single flag, so made
cglo_flags specific to that case.
No functional...


06:48 PM Gromacs Feature #1837: Design of new table classes
I suggest the client module at setup time
* specifies the functional form (e.g. inspects forcerec for what the use...
06:30 PM Gromacs Bug #1820: Free energy calculation using inter-molecular bonded interaction
Atsutoshi Okabe wrote:
> I'm sorry I confused the input mdp files about Coulombic interaction and van der Waals int...
06:03 PM Gromacs Task #1815: implement and execute plan for new releng machinery
Thanks for the summary!
I had a dig in the various code this afternoon, and I think Workflow isn't ready enough fo...
01:33 PM Gromacs Revision d781c2f0: Merge branch release-5-1 into master
No conflicts
Change-Id: I04b62299c5550ddf67a54ab8d6c278e7b60810ae
11:45 AM Gromacs Revision 5e7f5107: Fixed FFTW detection status message location
Change-Id: If1814c3c59c0f93e01b3a91843ecd102103d938d
11:36 AM Gromacs Task #1828: Exception handling in mdrun
Szilárd Páll wrote:
> Erik Lindahl wrote:
> > The advantage of doing it based on the openmp loops is that for many ...


10:20 PM Gromacs Revision 4ca78593: Merge release-5-0 into release-5-1
Fixes from release-5-0 goes in only one branch of the refactoring in
08:24 PM Gromacs Revision 64f3de27: Merge "Merge branch release-5-1 into master"


08:15 PM Gromacs Bug #1809 (Resolved): FFTW AVX unnecessarily checks for 128-bit AVX support
Applied in changeset commit:1909f2ffe7d9d248e1f04da505c4c6bac0d7ee76.

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