Artem Zhmurov





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:

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