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Created date
Make vectype operations no longer CUDA specific
!4311
· created
May 17, 2024
by
Paul Bauer
2025.devcycle2
AMD HIP
Feature
GPU acceleration
0 of 3 Approvals
updated
May 17, 2024
Draft: IWYU'd the code
!4310
· created
May 14, 2024
by
Vedran Miletić
4
1
0 of 3 Approvals
updated
May 17, 2024
Update CI to test oneAPI 2024.1
!4309
· created
May 14, 2024
by
Mark Abraham
0 of 3 Approvals
updated
May 14, 2024
Switch GPU MKL DFT to FWD_STRIDES and BWD_STRIDES
!4308
· created
May 14, 2024
by
Mark Abraham
GPU acceleration
SYCL
7
0 of 3 Approvals
updated
May 14, 2024
Disable compilation of muparser tests
!4307
· created
May 13, 2024
by
Mark Abraham
2
2 of 3 Approvals
updated
May 17, 2024
Fix double precision SVE bug
!4299
· created
May 09, 2024
by
Erik Lindahl
release-2024
10
1
0 of 3 Approvals
updated
May 17, 2024
Add doi to please_cite output
!4297
· created
May 09, 2024
by
Alexey Shvetsov
release-2024
2
0 of 3 Approvals
updated
May 09, 2024
Consolidate CUDA cub method calls
!4296
· created
May 08, 2024
by
Paul Bauer
CUDA
GPU acceleration
17
0 of 3 Approvals
updated
May 17, 2024
Add basic device detection when using HIP
!4290
· created
May 03, 2024
by
Paul Bauer
2025.devcycle2
AMD HIP
Device code
Feature
GPU acceleration
10
0 of 3 Approvals
updated
May 20, 2024
Add implementation stubs for HIP GPU methods
!4289
· created
May 03, 2024
by
Paul Bauer
2025.devcycle2
AMD HIP
Device code
Feature
GPU acceleration
8
2 of 3 Approvals
updated
May 17, 2024
Draft: Template clusterPairSplit
!4280
· created
May 02, 2024
by
Paul Bauer
2025.devcycle2
finallyRemoveOpenClKernelsItIsAboutTime
GPU acceleration
34
updated
May 03, 2024
Draft: [RFC] Remove support for using OpenCL as GPU backend
!4279
· created
May 02, 2024
by
Paul Bauer
2025.devcycle2
GPU acceleration
OpenCL
6
0 of 3 Approvals
updated
May 07, 2024
Add missing synchronization before buffer reallocation
!4278
· created
May 01, 2024
by
Andrey Alekseenko
release-2023
AdaptiveCpp
Bug
GPU acceleration
user bug report
26
0 of 3 Approvals
updated
May 07, 2024
Transform gmx_mdoutf to gmx::MdrunOutputManager
!4272
· created
Apr 29, 2024
by
Mark Abraham
core library
3
2 of 3 Approvals
updated
Apr 30, 2024
Clarify that cycle counts are scaled by rank count
!4269
· created
Apr 26, 2024
by
Szilárd Páll
release-2024
3
0 of 3 Approvals
updated
Apr 26, 2024
SYCL: Optimizations to nbnxm kernel for Nvidia - unroll and &&->*
!4265
· created
Apr 24, 2024
by
HJA Bird
SYCL
performance
15
1
0 of 3 Approvals
updated
May 13, 2024
Unit tests for new exceptions thrown from gmx msd
!4263
· created
Apr 23, 2024
by
Mark Abraham
2025.devcycle2
analysis tools
testing
1
0 of 3 Approvals
updated
Apr 24, 2024
GMX DSSP: Add DSSP v.2 supporting mode
!4260
· created
Apr 23, 2024
by
Sergey Gorelov
analysis tools
user feature request
6
2 of 3 Approvals
updated
May 10, 2024
Draft: Allow CPU force clearing to overlap with GPU work
!4257
· created
Apr 19, 2024
by
Szilárd Páll
GPU acceleration
4
0 of 3 Approvals
updated
Apr 26, 2024
Generalize and centralize helpers for naming tests and reference data
!4256
· created
Apr 19, 2024
by
Mark Abraham
3
0 of 3 Approvals
updated
May 08, 2024
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