- Email: firstname.lastname@example.org
- Registered on:
- Last connection: 06/24/2019
- 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,...
- 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...
- 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
- 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.
- 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 ...
- 06:39 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
Also available in: Atom