Skip to content
GitLab
Menu
Why GitLab
Pricing
Contact Sales
Explore
Why GitLab
Pricing
Contact Sales
Explore
Sign in
Get free trial
GROMACS
GROMACS
Merge requests
Open
113
Merged
3,679
Closed
470
All
4,262
Actions
Subscribe to RSS feed
Recent searches
{{formattedKey}}
{{ title }}
{{ help }}
{{name}}
@{{username}}
None
Any
{{name}}
@{{username}}
None
Any
{{name}}
@{{username}}
None
Any
{{name}}
@{{username}}
None
Any
{{name}}
@{{username}}
{{name}}
@{{username}}
None
Any
Upcoming
Started
{{title}}
None
Any
{{title}}
None
Any
{{title}}
None
Any
{{name}}
Yes
No
Yes
No
{{title}}
{{title}}
{{title}}
Closed date
SYCL: Optimizations to nbnxm kernel for Nvidia - unroll and &&->*
!4265
· created
Apr 24, 2024
by
HJA Bird
SYCL
performance
12
1
Approved
updated
Apr 25, 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
0 of 3 Approvals
updated
Apr 23, 2024
gmx msd: throw error if -trestart is not divisible by -dt and moved check for dt_ > trestart
!4259
· created
Apr 23, 2024
by
Brian Andrews
2024.2
release-2024
21
0 of 3 Approvals
updated
Apr 25, 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
nbnxmKernelTest_simplify
1
updated
Apr 22, 2024
SYCL Docs: Add a known issue about HW queues and AdaptiveCpp
!4255
· created
Apr 19, 2024
by
Andrey Alekseenko
2024.2
release-2024
AdaptiveCpp
documentation
Approved
updated
Apr 26, 2024
Used GoogleTest skip and failure mechanisms to manage NbnxmTests
!4254
· created
Apr 17, 2024
by
Mark Abraham
2025.devcycle2
testing
9
Approved
updated
Apr 26, 2024
Draft: oneMKL: Use modern descriptor parameters (since MKL 2024.1)
!4252
· created
Apr 16, 2024
by
Andrey Alekseenko
0 of 3 Approvals
updated
Apr 17, 2024
Draft: Diagonalization of asymmetric matrices by the eigensolver
!4247
· created
Apr 15, 2024
by
Cathrine Bergh
0 of 3 Approvals
updated
Apr 26, 2024
Fix DLB with IMPI + dpcpp + Intel GPUs
!4246
· created
Apr 15, 2024
by
Mark Abraham
15
0 of 3 Approvals
updated
Apr 23, 2024
Remove raw pmalloc methods
!4245
· created
Apr 15, 2024
by
Paul Bauer
0 of 3 Approvals
updated
Apr 24, 2024
Add HIP device buffer implementation
!4244
· created
Apr 15, 2024
by
Paul Bauer
2025.devcycle2
4954-add-hip-gpu_utils
AMD HIP
Feature
GPU acceleration
updated
Apr 16, 2024
Add gpu_utils implementation for HIP
!4243
· created
Apr 15, 2024
by
Paul Bauer
2025.devcycle2
AMD HIP
Feature
GPU acceleration
18
0 of 3 Approvals
updated
Apr 24, 2024
Make HostAllocationPolicy more flexible
!4235
· created
Apr 11, 2024
by
Mark Abraham
GPU acceleration
3
0 of 3 Approvals
updated
Apr 16, 2024
Avoid constraining velocities with MTS virial calculation
!4233
· created
Apr 10, 2024
by
Berk Hess
2
2 of 3 Approvals
updated
Apr 23, 2024
Threefry on CUDA
!4221
· created
Apr 05, 2024
by
Magnus Lundborg
2025.devcycle2
CUDA
32
0 of 3 Approvals
updated
Apr 12, 2024
fix: there is a bug when warp_size=64, so update nbnxm_cuda_kernel_utils.cuh
!4215
· created
Apr 01, 2024
by
feng_shuai
4
0 of 3 Approvals
updated
Apr 12, 2024
Draft: Add a link to CHARMM force field download in pdb2gmx and x2top.
!4206
· created
Mar 26, 2024
by
Magnus Lundborg
1
1
0 of 3 Approvals
updated
Mar 26, 2024
Add replacement complex number type using std::complex
!4179
· created
Mar 13, 2024
by
Paul Bauer
6
0 of 3 Approvals
updated
Mar 19, 2024
Prev
1
2
3
4
5
6
Next