|
Segfault with ntmpi >2 with 2 GPUs
|
|
6
|
39
|
November 12, 2025
|
|
NVIDIA ADA gpu (5070 ti and 5080) failed to be used during simulation in gromacs 2024.4
|
|
2
|
99
|
October 27, 2025
|
|
Gromacs 2025.2 installation with CUDA 12.8
|
|
4
|
218
|
August 27, 2025
|
|
Install workflow with AMD GPU support (Framework 16, Ubuntu 24.04, GPU: AMD Radeon RX 7700S)
|
|
10
|
2111
|
July 16, 2025
|
|
cuFFTMp + MPI with GROMACS 2025.2 on NVIDIA DGXA100
|
|
0
|
79
|
June 12, 2025
|
|
constant-pH gromacs: Installation error
|
|
5
|
92
|
April 10, 2025
|
|
How to enable GMX_ENABLE_DIRECT_GPU_COMM
|
|
3
|
253
|
March 14, 2025
|
|
Gromacs install with conda but can't run on GPU
|
|
20
|
981
|
January 4, 2025
|
|
Problems with installing GPU-supported Gromacs on a cluster and can't find cuda root
|
|
4
|
76
|
December 29, 2024
|
|
Error in Gromacs installation on GPU
|
|
18
|
2305
|
November 13, 2024
|
|
Installing Gromacs on Windows
|
|
3
|
643
|
October 31, 2024
|
|
Grompp errors with v2024.3: The drift estimate should be a finite value
|
|
5
|
67
|
October 30, 2024
|
|
How to Set up MMPBSA in Gromacs 2024.1
|
|
10
|
3050
|
August 12, 2024
|
|
GROMACS SYCL for Intel GPU support
|
|
4
|
147
|
July 26, 2024
|
|
Installation of AMBER ff19SB on GROMACS 2024.1
|
|
3
|
1148
|
July 24, 2024
|
|
"'automake-1.15' is probably too old." error when trying to install
|
|
1
|
373
|
July 16, 2024
|
|
CUDA enabled Gromacs Cp2k installation error
|
|
2
|
429
|
July 14, 2024
|
|
Gromacs Installation on GPU
|
|
0
|
210
|
June 18, 2024
|
|
After installation
|
|
0
|
85
|
April 4, 2024
|
|
NbnxmSetupTest.CanCreateNbnxmGPU error during 2024 build
|
|
5
|
512
|
March 25, 2024
|
|
Adding new Vendor
|
|
2
|
218
|
March 18, 2024
|
|
Error Building GROMACS 2023.3 with CUDA - NVCC/GCC Compatibility Issue
|
|
2
|
763
|
March 14, 2024
|
|
Persistent Issue: GROMACS Installation Troubles
|
|
2
|
429
|
March 4, 2024
|
|
Docker of GROMACS 2023 or 2024
|
|
0
|
326
|
January 30, 2024
|
|
How do you know if the GROMACS-CP2K is working?
|
|
0
|
329
|
January 28, 2024
|
|
gromacs23.2+Cp2k23.2 installation error
|
|
1
|
391
|
November 30, 2023
|
|
Error in compiling intel gpu with gromacs
|
|
5
|
413
|
November 20, 2023
|
|
I am trying to compile GROMACS with both GPU acceleration and double precision
|
|
8
|
2471
|
November 6, 2023
|
|
Unable to build with cuFFTMp
|
|
14
|
1775
|
October 31, 2023
|
|
Gromacs 2023 installation issue, slower run with gmx_mpi on multiple nodes
|
|
0
|
703
|
October 26, 2023
|