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Created date
replace FindCUDA usage with FindCUDAtoolkit cmake module
!4020
· created
Jan 12, 2024
by
Mahesh Doijade
31
0 of 3 Approvals
updated
Apr 19, 2024
Remove workaround for GPU-update-but-no-constraints case
!3983
· created
Dec 08, 2023
by
Andrey Alekseenko
SYCL
2
0 of 3 Approvals
updated
Dec 08, 2023
Draft: Silence -Winterference-size compiler warning
!3977
· created
Dec 06, 2023
by
Andrey Alekseenko
release-2024
compiler-warning
0 of 3 Approvals
updated
Dec 06, 2023
Draft: Enable SD integrator updates and constraints on CUDA GPU
!3972
· created
Nov 30, 2023
by
Magnus Lundborg
2025.devcycle2
17
1
0 of 3 Approvals
updated
Apr 05, 2024
Pass workload flags to the FE kernel
!3971
· created
Nov 30, 2023
by
Magnus Lundborg
6
2 of 3 Approvals
updated
Dec 01, 2023
Handle reference data for nbnxm kernel tests using run-time parameter
!3922
· created
Nov 13, 2023
by
Mark Abraham
2025.devcycle 1
nbnxmKernelTest_simplify
testing
1
updated
Nov 13, 2023
Simplify strategy for re-using reference data in nbnxm kernel test
!3921
· created
Nov 13, 2023
by
Mark Abraham
2025.devcycle 1
testing
3
1
0 of 3 Approvals
updated
Apr 19, 2024
Fix post merge issues in !3505
!3919
· created
Nov 13, 2023
by
Joe Jordan
6
0 of 3 Approvals
updated
Nov 13, 2023
Basic MSM estimation tool
!3912
· created
Nov 10, 2023
by
Cathrine Bergh
2025.devcycle 1
Feature
analysis tools
10
0 of 3 Approvals
updated
Jan 12, 2024
Draft: Fix race condition on CPU force buffer clearing
!3907
· created
Nov 08, 2023
by
Szilárd Páll
GPU acceleration
25
0 of 3 Approvals
updated
Apr 18, 2024
Move stateGpu reinit where it belongs
!3898
· created
Nov 07, 2023
by
Szilárd Páll
2024.beta
review-effort
low
2
0 of 3 Approvals
updated
Nov 09, 2023
Fix OpenCL nbnxm kernels on Volta and later
!3850
· created
Oct 11, 2023
by
Szilárd Páll
2023.4
release-2023
4
0 of 3 Approvals
updated
Oct 18, 2023
Draft: Make PME GPU wait conditonal on whethere there results
!3841
· created
Oct 03, 2023
by
Szilárd Páll
GPU acceleration
10
0 of 3 Approvals
updated
Oct 11, 2023
Return early from NB wait when no output is needed
!3840
· created
Oct 03, 2023
by
Szilárd Páll
GPU acceleration
12
1
Approved
updated
Nov 15, 2023
Draft: passes inputrec from TPR to TrajectoryAnalysisModule
!3810
· created
Sep 08, 2023
by
Alexey Nesterenko
release-2023
2023 Workshop
analysis tools
5
0 of 3 Approvals
updated
Oct 12, 2023
Draft: changed trjcat, it skips any empty trajectory if any.
!3807
· created
Sep 08, 2023
by
Akash Deep Biswas
2023 Workshop
11
0 of 3 Approvals
updated
Sep 11, 2023
Upgrade cmake to 3.20.1 from 3.18.4
!3773
· created
Aug 24, 2023
by
Mahesh Doijade
7
0 of 3 Approvals
updated
Mar 20, 2024
Add workaround to force schedule when hardware lacks support for stream priority
!3767
· created
Aug 21, 2023
by
Mark Abraham
2024.devcycle3
GPU acceleration
15
0 of 3 Approvals
updated
Aug 25, 2023
Enable PME tuning with PME decomposition
!3747
· created
Aug 11, 2023
by
Mark Abraham
2024.devcycle3
GPU acceleration
8
0 of 3 Approvals
updated
Sep 22, 2023
Access symbols from standard library via std:: for consistency
!3738
· created
Aug 05, 2023
by
Vedran Miletić
11
0 of 3 Approvals
updated
Apr 12, 2024
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