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Artem Zhmurov

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10/18/2019

05:52 PM GROMACS Bug #3163: gpuupdate / task assignment stabilization
Quick fix https://gerrit.gromacs.org/#/c/gromacs/+/13801/
04:45 PM GROMACS Revision a73c3ec2: Remove excessive H2D and D2H coordinates copies when update is offloaded
The H2D copies are only needed:
1. When update is not ofloaded.
2. At the search steps, after device buffers were rei...
02:28 PM GROMACS Feature #3162 (New): Add virtual site support to GPU version of update-constraints.
The virtual sites require forces to be distributed among normal atoms. Hence, all forces has to be copied to the host...
11:14 AM GROMACS Revision caf637d9: Remove excessive H2D and D2H copies of velocities when update is offloaded
If update is offloaded:
The H2D copy of velocities is done:
1. At the search step after the device buffers were rein...

10/16/2019

10:21 AM GROMACS Revision 7bbfb57c: Link GPU force producer and consumer tasks
The GPU event synchronizer that indicates that forces are ready
for a consumption is now passed to the GPU update-con...
10:08 AM GROMACS Feature #2891: PME/PP GPU communications
Szilárd Páll wrote:
> The code implementing this feature was broken by:
> https://gerrit.gromacs.org/c/gromacs/+/13...

10/15/2019

07:10 PM GROMACS Revision 8734c618: Fix the single-GPU update-constraints
This is a temporary fix to make it work. Better solutions are in other patches.
1. The getter for the update stream ...

10/14/2019

10:24 AM GROMACS Feature #3135 (New): Make GPU traits ino opaque types
The GPU traits types include:
- GPU stream (cudaStream_t in CUDA, cl_command_queue in OpenCL)
- GPU context (not us...
10:00 AM GROMACS Revision a7759162: Add separate constructor to StatePropagatorDataGpu for PME-only rank / PME tests
A separate constructor is added to the StatePropagatorDataGpu to use in the
separate PME rank and in PME tests. These...

10/12/2019

04:49 PM GROMACS Revision 7b77ac03: Centralize management of forces ready on GPU event
This change adds the GpuEventSynchronizer for the forces reduced on GPU event
to the StatePropagatorDataGpu. This eve...

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