GROMACS development

09/20/2019

04:04 PM GROMACS Bug #3100: crash with GPU comm DD

Thanks - now reproduced. (Noting that PME-PP comms are not relevant here and the bug is still present without GMX_GPU...

01:14 PM GROMACS Bug #3100: crash with GPU comm DD

@Mark in is1DAnd1PulseDD() you are only returning true if (dd.comm->maxpulse == 1), but in these cases dd.comm->maxpu...

10:03 AM GROMACS Bug #3100: crash with GPU comm DD

Trying to reproduce.
@Mark, change
6fb2a76 Use GPU halo exchange only when compatible DD is available
seems to...

09/19/2019

01:03 PM GROMACS Task #3077: PME/PP GPU Comms unique pointer deletion causes seg fault when CUDA calls exist in destructor

Yes, it's still an issue - I've not had time to properly investigate/fix it yet.

09/18/2019

05:34 PM GROMACS Bug #3097: nbnxm grid issue with regressiontest complex/nbnxn_rzero with gpubufferops path

I also can't reproduce it locally, tried running it multiple times and it passes consistently.

03:36 PM GROMACS Revision 54c24729: GPU Force Halo Exchange

Activate with GMX_GPU_DD_COMMS environment variable.
Extends GPU Halo exchange feature to provide GPU Force halo exc...

09/16/2019

03:12 PM GROMACS Revision 44f607d7: GPU halo exchange

Activate with GMX_GPU_DD_COMMS and GMX_USE_GPU_BUFFER_OPS environment
variable.
Class to initialize and apply coordi...

09/10/2019

10:30 AM GROMACS Wiki edit: Integration_planning_for_GROMACS_2020_GPU_features (#11)

09/06/2019

06:26 PM GROMACS Wiki edit: Integration_planning_for_GROMACS_2020_GPU_features (#10)

09/05/2019

03:48 PM GROMACS Task #3077 (New): PME/PP GPU Comms unique pointer deletion causes seg fault when CUDA calls exist in destructor

When the unique pointer used for the PME-PP GPU communications objects are automatically deleted, the code sometimes ...