Mark Abraham

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Reported issues: 183

Today

02:10 PM Gromacs Feature #1900 (New): Implement some new warnings in grompp
While discussing https://gerrit.gromacs.org/#/c/5606/6..8/src/gromacs/mdlib/csettle.cpp, we suggested such a check al...

02/10/2016

11:09 PM Gromacs Revision 253a2141: Re-remove *_stochd_state function declarations
These were removed in 67ed55c616d, but re-emerged in a rebase leading
to bb4b3d7.
Change-Id: I32b38af60fc5185355cc32...
01:11 PM Gromacs Revision 147190ed: Improved update_coords handling of xprime
state->nalloc can be increased only during DD re-partitioning, so we
only need to check for that when doing a re-part...
11:53 AM Gromacs Revision a1214acf: Fix issues to update cppcheck support to 1.72
Bumped requirement for cppcheck in releng.
Changed the output template to make it easier to find cppcheck's
name for...

02/09/2016

04:15 PM Gromacs Bug #1899: Unable to compile QMMM (MOPAC)
You can't use LDFLAGS with CMake - see http://stackoverflow.com/questions/6077414/cmake-how-to-set-the-ldflags-in-cma...

02/08/2016

08:41 AM Gromacs Revision e1bea19b: Merge branch release-5-0 into release-5-1
Change-Id: I7795992dcc576dbe9b8cb42db0e95981c2a2e255
08:27 AM Regression tests suite Revision d3d0cf81: Merge branch release-5-1
Change-Id: I349257bc7271ba53f9d745ee4005b3452819f097

02/06/2016

03:00 AM Gromacs Revision 2d4cfab6: Merge branch release-5-1
Moved new test/readinp.cpp file to fileio where readinp.cpp is
now located. Left skeleton test infrastructure in plac...

02/03/2016

03:39 PM Gromacs Bug #1897: Memory leak in mdrun
I can reproduce the leak when running on just a single CPU core (ie. no multi, no GPU, no DD) and if I turn free-ener...
03:06 PM Gromacs Bug #1897: Memory leak in mdrun
Berk Hess wrote:
> Did you try to run without replica exchange and/or without FE?
There's no replica exchange, me...

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