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Artem Zhmurov

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01/22/2020

11:49 AM GROMACS Feature #2885 (Closed): CUDA version of LINCS
Initial implementation and integration are done. Possible improvements moved to #3114.
11:46 AM GROMACS Feature #2886 (Closed): CUDA version of SETTLE
Initial implementation and integration is done. All the possible improvements moved to #3114.
11:41 AM GROMACS Feature #2888 (Closed): CUDA Update and Constraints module
The initial CUDA implementation of update-constraints is done. Further improvements are listed in #3114
09:51 AM GROMACS Task #3318 (In Progress): Use wrappers for the GPU buffer copy/allocations
09:44 AM GROMACS Task #3322 (Accepted): Add reallocate(...) function that does not care about the contents of the buffer
09:43 AM GROMACS Task #3321 (Accepted): Add D2D wrapper
09:43 AM GROMACS Task #3320 (In Progress): Remove duplicating D2H/H2D wrappers in NBNXM
09:42 AM GROMACS Task #3319 (In Progress): Use DeviceBuffer instead of native GPU types in NBNXM
09:42 AM GROMACS Task #3318 (Accepted): Use wrappers for the GPU buffer copy/allocations
09:41 AM GROMACS Task #3313 (Accepted): Introduce and use opaque types for the DeviceStream and DeviceContext

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