GROMACS development

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

11:56 AM GROMACS Feature #2891: PME/PP GPU communications

Awaiting merge of buffer ops patch.

11:55 AM GROMACS Feature #2890: GPU Halo Exchange

Position halo exchange patch awaiting review.

11:54 AM GROMACS Feature #2817: GPU X/F buffer ops

F buffer ops (without PME reduction) patch now updated to include vectorization within kernel and use of haveCpuFor...

03/12/2019

02:06 PM GROMACS Feature #2891 (New): PME/PP GPU communications

When utilizing multiple GPUs with a dedicated PME GPU, data must be exchanged between the PME task and the PP tasks. ...

02:00 PM GROMACS Feature #2890 (New): GPU Halo Exchange

When utilizing multiple GPUs with PP domain decomposition, halo data must be exchanged between PP tasks. Currently, t...