- Registered on: 03/01/2018
- Last connection: 03/23/2020
- 04:50 PM GROMACS Task #3290: Require CMake >= 3.12
- Perhaps it is too late to weigh in, but I would vote for requiring 3.13 since it will not affect compatibility any mo...
- 05:39 PM GROMACS Bug #3387 (New): Death test bug
- When running "make -j16 check" with the following modules loaded,
- 09:52 AM GROMACS Feature #3117: Coulomb FEP PME on GPU
- I have not tested it myself, but Pascal mentioned when he came in January that he has a nice bench-marking suite. It ...
- 10:43 AM GROMACS Feature #3374: SimulationInput abstraction
- There a few further issues (at least!) that would block this implementation and thus also must be addressed to move t...
- 09:25 AM GROMACS Task #2730 (Closed): Add tests for gmx_genion
- 03:27 PM GROMACS Feature #2961: How should Python package find GROMACS resources under various circumstances?
- Eric Irrgang wrote:
> Eric Irrgang wrote:
> > For issues such as helping users to build mpi4py...
> Note that ...
- 07:49 AM GROMACS Revision 1a766ea9: Fuse two adjacent neighbor search branches in do_force
- Change-Id: I8f81451fbce86f1bd26388ed2348112363bc3bbf
- 05:47 PM GROMACS Revision 126a0b48: Remove qm dependence on forcerec in do_force_lowlevel
- Also cleaned up some initialization.
- 01:27 PM GROMACS Revision cdaecfcf: Remove useGpuNonbonded from launchGpuEndOfStepTasks function signature
- Change-Id: Ic2418a6db1640474409a8428f55e3ba035d98b6c
- 02:00 PM GROMACS Revision 6e65c60c: Create clang-tidy cmake option
- This option checks that clang-tidy will work and allows clang-tidy
to be set using the libcurses gui.
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