GROMACS development

05/10/2019

01:40 AM GROMACS Revision 42b343b9: Position buffer ops in CUDA

On all but search steps the buffer ops transform can now be done on a
CUDA GPU. If PME runs on the same GPU the alrea...

04/25/2019

05:02 PM GROMACS Feature #2934 (New): GPU X Buffer ops

Implement and improve the GPU version of position buffer operations. Gerrit change 9169 implements the functionality,...

04/02/2019

05:37 PM GROMACS Feature #2915: GPU direct communications

Szilard wrote (copying from issue 2891):
>How do we provide fallbacks for when i) no MPI is used ii) no CUDA-aware...

05:30 PM GROMACS Feature #2891: PME/PP GPU communications

>As noted in CR, we should initiate the PP->PME send exactly at the same location where the CPU path does it; the c...

05:29 PM GROMACS Feature #2915 (New): GPU direct communications

Part of this family of developments involves enablement of direct communications between GPU memory spaces. This issu...

03/14/2019

05:06 PM GROMACS Revision 8fa8a779: NVIDIA Prototype (nondraft): GPU update&constraints plus D2D comms

This patch does not require review. It is a (slightly updated) copy of
draft patch 8858, but committed as non-draft p...

12:24 PM GROMACS Feature #2817: GPU X/F buffer ops

Now rebased such that (haveSpecialForces || haveCpuBondedWork) is available. But we can't use it just yet to make the...

12:19 PM GROMACS Revision 3cced793: F buffer operations in CUDA

TODO: split out reduction
Implements part of #2817
Change-Id: I80c95438e44167b6a9d9d74c27709379f6665867

12:17 PM GROMACS Revision 20934303: Position buffer ops in CUDA

TODO:
- improve the CUDA kernel
Note:
- waits for X copy on the PME stream to finish, need to implement sync
poi...

03/13/2019

05:30 PM GROMACS Revision ad0ca36c: test

Change-Id: I48aee4be8a9a195c9f6ec8ff65c2f20956093f23