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Open
158
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3,886
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493
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Updated date
Use CUDA 11.0.3 base container instead of CUDA 11.0 base container
!2794
· created
Jun 13, 2022
by
Gaurav Garg
Closed
5
0 of 3 Approvals
updated
Jun 30, 2022
SYCL: Use usm_host allocation for host buffers
!2572
· created
Mar 02, 2022
by
Roland Schulz
master
SYCL
performance
Closed
11
updated
Jun 22, 2022
Disable OpenMP for AppleClang on Github Actions
!2751
· created
May 27, 2022
by
Paul Bauer
release-2022
Closed
1
Approved
updated
Jun 15, 2022
Draft: Ensure that the direct GPU comm is covered in CI
!2421
· created
Jan 31, 2022
by
Szilárd Páll
release-2022
CUDA
GPU acceleration
testing
Closed
34
2 of 3 Approvals
updated
Jun 14, 2022
Add libstdc++ linking to nvcc flag checks
!2792
· created
Jun 13, 2022
by
Mark Abraham
2022.2
release-2022
Bug
CI failure
build system
Closed
3
2 of 3 Approvals
updated
Jun 13, 2022
Revert "Fix nvcc flag detection for gcc-11"
!2721
· created
May 18, 2022
by
Paul Bauer
2022.2
release-2022
Bug
CI failure
build system
Closed
20
Approved
updated
Jun 13, 2022
Fix charge zeroing in convert-tpr
!2725
· created
May 19, 2022
by
Paul Bauer
2022.2
release-2022
Bug
Closed
26
2 of 3 Approvals
updated
Jun 13, 2022
Fix correctness issues with free-energy regression tests
!2773
· created
Jun 07, 2022
by
Gaurav Garg
Closed
4
0 of 3 Approvals
updated
Jun 07, 2022
Let test jobs fail.
!2493
· created
Feb 12, 2022
by
M. Eric Irrgang
2023.devcycle1
release-2022
testing
Closed
+2
12
1
0 of 3 Approvals
updated
Jun 03, 2022
Exit more robustly when test jobs fail.
!2492
· created
Feb 12, 2022
by
M. Eric Irrgang
2023.devcycle1
release-2022
testing
Closed
+2
14
0 of 3 Approvals
updated
Jun 03, 2022
Fix Windows oneAPI build
!2223
· created
Nov 18, 2021
by
Andrey Alekseenko
Windows
oneAPI
Closed
10
0 of 3 Approvals
updated
Jun 01, 2022
Clarify pdb2gmx error message for undefined atom type in tdb
!2737
· created
May 24, 2022
by
Szilárd Páll
Closed
0 of 3 Approvals
updated
May 24, 2022
Fix SFINAE on SIMD load for smoother type deduction
!2689
· created
May 08, 2022
by
Mark Abraham
Closed
4
0 of 3 Approvals
updated
May 09, 2022
Make automated release builds
!916
· created
Dec 03, 2020
by
Paul Bauer
2023.devcycle1
release-2022
Status
Feedback-wanted
Closed
79
0 of 3 Approvals
updated
May 03, 2022
Add *env* parameter to gmxapi.commandline_operation.
!2654
· created
Apr 13, 2022
by
M. Eric Irrgang
master
Bug
MPI
Status
Fix uploaded
gmxapi
Python
python
Closed
3
updated
Apr 26, 2022
Apply right force transformation in densityfitting
!2615
· created
Apr 04, 2022
by
Christian Blau
2023.devcycle2
master
Bug
review-effort
low
Closed
8
Approved
updated
Apr 13, 2022
Added absolute option to gmx density. That prevents scaling to the last frame.
!1703
· created
Jun 07, 2021
by
Pavel Buslaev
2022.1
release-2022
Closed
8
0 of 3 Approvals
updated
Apr 11, 2022
Resolve compiler warning.
!2641
· created
Apr 11, 2022
by
M. Eric Irrgang
2023.devcycle2
master
Bug
Closed
4
updated
Apr 11, 2022
Draft: Add a test job to build current client against previous releases.
!2549
· created
Feb 23, 2022
by
M. Eric Irrgang
release-2022
Closed
2
0 of 3 Approvals
updated
Mar 23, 2022
Fix nblib gmx listed forces calculator shift forces allocation
!2600
· created
Mar 17, 2022
by
Joe Jordan
release-2022
Closed
3
1
0 of 3 Approvals
updated
Mar 17, 2022
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