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- 07:42 PM GROMACS Revision a0c0503d: Add D2H copies for the checkpointing
- If the update is offloaded, the current coordinates and velocities
are stored on the device and have to be copied for...
- 07:42 PM GROMACS Revision 4d121e0e: Move the copy of the velocities for the output closer to the output
- The D2H copy of velocities is split into two calls, one of which is
moved closer to the output, where it is consumed....
- 02:56 PM GROMACS Revision 0b7ffe4f: Fix icc-19 warning in nightly matrix
- The nessesity of having the default return statement after the
if-else constructions depended on the #ifdef statement...
- 06:04 PM GROMACS Task #3207 (New): Ad cycle counting to StatePropagatorDataGpu
- The time spent on H2D and D2H copy in StatePropagatorDataGpu needs accounting, which require introducing the cycle co...
- 10:39 AM GROMACS Revision a2de1f51: Removing code duplications in StatePropagatorDataGpu
- The assertions on the correct locality and existence of the
CommandStream are moved into the general copy functions, ...
- 01:10 PM GROMACS Revision abab855f: Use same matrix for Parrinello-Rahman and Berendsen coordinates scaling
- Currently, Parrinello-Rahman uses the matrix created in the md.cpp,
whereas it is created when needed internally for ...
- 08:16 AM GROMACS Revision 7f2e8636: Remove excessive H2D and D2H copies of forces when update is offloaded
- Forces are copied H2D only on steps when force buffer ops is not
offloaded to the GPU (e.g. steps when virials are co...
- 07:13 PM GROMACS Revision c67cf55b: Disable GPU update when coordinates swapping is enabled
- The coordinates swap is done on the CPU, which would require
additional D2H and H2D copies if the update is offloaded...
- 10:54 AM GROMACS Revision 6e01b028: Switch the GPU buffer ops on when update is on GPU
- The update is supported on the GPU only when buffer ops are also
offloaded. This changes the behavior from requiring ...
- 11:34 PM GROMACS Bug #3182: pressure coupling buggy with GPU update
- Potential fix: https://gerrit.gromacs.org/#/c/gromacs/+/13959/
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