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12:40 PM GROMACS Task #2992 (New): Split hw_opt in const user options and dynamic settings
The hardware options struct hw_opt should be split/duplicated into two structs: one with user (command-line) options,...

06/20/2019

08:14 AM GROMACS Revision 99c978fe: Remove unnecessary #if GMX_MPI in pme code
Change-Id: I1c645c84b229258527d4c40edb055a706189c2bf
07:41 AM GROMACS Revision a7c8e191: Template free-energy kernel on soft-core
Templated the free-energy kernel on the presence of soft-core
and the soft-core r-power.
Not doing the soft-core math...

06/19/2019

10:35 PM GROMACS Bug #2982 (Rejected): GROMACS with Plumed mpi segfault
This is a question for the PLUMED list/developers, not GROMACS.
09:52 PM GROMACS Revision 18fbb466: Refactor PME atom handling
Converted pme_atomcomm_t to PmeAtomComm class.
The PME atom count on CPU without separate PME ranks is now set by
gmx...
08:04 PM GROMACS Revision 4dd7cb1c: Removed unused code paths in the NB FE kernel
Code paths that were only used with the group scheme were removed.
Change-Id: I27175abfad5da9948f0626af90d16e7801eaf19d

06/18/2019

09:51 PM GROMACS Revision efa9b8e4: Make forcerec const in dispatchNonbondedKernel()
Changed forcrecin Nbnxm::dispatchNonbondedKernel() from a pointer
to a const reference. The GPU emulation kernel now ...

06/17/2019

06:39 PM GROMACS Revision 1f5d3a3b: Simplify GPU nbnxm x conversion
The GPU nbnxm x conversion change 42b343b9 lead to data being transferred
multiple times and introduced several ugly ...
01:28 PM GROMACS Task #2979 (Accepted): Reconsider default 1 OpenMP thread per thread-MPI rank
We always have 1 OpenMP thread per thread-MPI rank by default. This is best at small/medium rank and simple. But with...
09:55 AM GROMACS Revision ac628532: Remove unused nbnxm include files
Change-Id: I04ca522139dfa7f1b809a2db9dd494ed9f0f0b23

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