Berk Hess

GROMACS (Manager, Developer, 01/04/2011)
Next-generation analysis tools (Manager, Developer, 01/04/2011)
Source code reorganization (Manager, Developer, 01/04/2011)
Support Platforms (Manager, Developer, 01/12/2011)
Regression tests suite (Manager, 01/05/2011)
Benchmark suite (Manager, 01/05/2011)

02:43 PM GROMACS Bug #2767 (Fix uploaded): grompp warns about md + FEP even for fully coupled states: Uploaded a "fix" that changes the warning to a note.
02:26 PM GROMACS Bug #2990: ARM neon SIMD4 error: Paul Bauer wrote:
> This is the warning I get now (and a few more)
> As far as I understand from reading about it t...

03:27 PM GROMACS Bug #3230 (New): mdrun-test -ntmpi 2 deadlock in calculateForces in density fitting: Only one rank ends up in calculateForces in the density fitting code, which causes the test to hang.
I don't know ...

05:32 PM GROMACS Task #3229 (New): Move checkpointing to the beginning of the MD step: The checkpointing in md.cpp is done towards the end of the step, together with the trajectory output. If would simpli...
05:13 PM GROMACS Task #3216: improve CPU force reductions: What is code-path aware force clearing.
05:02 PM GROMACS Bug #3226: Regression tests segfault with GPU update and DD: The GPU DD does not implement constraint communication, so it should only be enabled when we do not have constraints ...

04:42 PM GROMACS Revision 1d69cda2: Add check for coupled constraints for CUDA update: The CUDA LINCS code has a limit on the number of coupled constraints.
This is now checked during in the GPU update de...
04:42 PM GROMACS Revision 52b944b4: Extract LINCS CUDA helper functions: Change-Id: I00fb311053aa9c13036b401107399409f9a01599

05:22 PM GROMACS Revision 6d99340a: Merge "Merge branch release-2019 into release-2020" into release-2020

04:21 PM GROMACS Revision 2780086f: Update documenation for NPT GPU update: Change-Id: Iaa0ee0555621955c6eb7276d1b9f097420c4e70a

Also available in: Atom

GROMACS development