- Email: Mark.J.Abraham@gmail.com
- Registered on:
- Last connection: 01/22/2020
- 04:52 PM GROMACS Task #3312: Data type for coordinates, xyzq data, LJ parameters data to use for GPU buffers
- Solution 1 also makes any code that uses the compatibility types (even just by name) dependent on the value of @GMX_G...
- 03:22 PM GROMACS Feature #3307: General interface for communication between simulation ranks
- An @MpiCommunicator@ type to manage the lifetime and very simple use of an MPI_Comm makes sense. Most of the current ...
- 11:26 AM GROMACS Task #3047: Set required versions for GROMACS 2021
- In email discussion, Gilles Guillardot reported that ACLE (ie ARM SVE intrinsics) is expected to be supported in main...
- 02:12 PM GROMACS Revision a453e5fa: Regularize nbnxm module doxygen
- This module will be easier to work with if all the files are
documented and all the comments precede the things that ...
- 10:29 AM GROMACS Task #3290: Require CMake >= 3.12
- I note that ubuntu 18.04 has only 3.10, and that LTS version will still have appreciable life that overlaps with GROM...
- 01:45 PM GROMACS Task #3047: Set required versions for GROMACS 2021
- Discussed updating to clang 3.9 at https://gerrit.gromacs.org/c/gromacs/+/15237
- 11:55 AM GROMACS Revision 9ce8e5c8: Make nbnxm headers more self-contained
- Resolves existing TODO, removing a dependency of the CPU kernels
Eliminates an unnecessary function, and...
- 04:00 PM GROMACS Task #3297: Require gcc > 5
- IIRC we were a little pushy with the bumps to requirements for GROMACS 2020. That doesn't mean we can't make minor in...
- 04:37 PM GROMACS Revision 97c8dcb6: Clean up ewald module internals
- This prepares for future refactoring by starting to break up the
cross dependence on many internal headers.
- 02:08 PM GROMACS Feature #3242: Please do not remove the -nsteps flag
- If we replace it by something that does all the same things, then I think we should not replace the name. And if we k...
Also available in: Atom