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Error compiling gromacs-2018.8
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5
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1000
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December 4, 2025
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GROMACS 2025.3 + Plumed +GPU + MPI
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2
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54
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November 24, 2025
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Gromacs 2025.3 installation, make check regression tests /complex failed
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5
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72
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November 12, 2025
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Has anyone successfully used GROMACS 2023 with 5070Ti GPUs?
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3
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104
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October 30, 2025
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Error compiling gromacs 2025.0 with CUDA
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7
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1212
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September 23, 2025
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GROMACS 2025.3 installation error
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2
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79
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September 15, 2025
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Filed regression in GROMACS 2025.1
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6
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107
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August 29, 2025
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Gromacs patched with Libtorch
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1
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35
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August 29, 2025
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Nvcc error when running CMake
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2
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109
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August 27, 2025
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Installation Error on WSL2 with CUDA Toolkit
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1
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210
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August 13, 2025
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Errors while running CTest (New post: 31/07/2025) Detailed logs attached
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4
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25
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August 7, 2025
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Installation of gromacs w/ CUDA & MPI
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2
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1389
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June 13, 2025
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cuFFTMp + MPI with GROMACS 2025.2 on NVIDIA DGXA100
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0
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60
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June 12, 2025
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Rocm could not find /opt/rocm/llvm/lib/cmake/llvm/
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4
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156
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May 28, 2025
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Gromacs can not recognize my amd gpu
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1
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61
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May 26, 2025
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Libgromacs.so.10.0.0: undefined references during installation with CUDA
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0
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62
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April 30, 2025
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Problems building gromacs with CUDA
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0
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96
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April 29, 2025
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constant-pH gromacs: Installation error
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5
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69
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April 10, 2025
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Fatal error: Cannot run short-ranged nonbonded interactions on a GPU because no GPU is detected
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11
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127
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April 9, 2025
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Build issue on cray-system (Gromacs 2025.0)-multiple static assertion issues
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10
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138
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March 30, 2025
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Error C3028 in GROMACS 2025 when building on Windows with CUDA
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7
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162
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February 20, 2025
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GROMACS with PLUMED error
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6
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483
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February 19, 2025
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Make Error during Gromacs and cp2k build
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0
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40
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February 12, 2025
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Gromacs All Test Fails
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7
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202
|
February 12, 2025
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Error during Gromacs-cp2k install
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1
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72
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February 12, 2025
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The 'make install' step does not install libgromacs_mpi.a
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5
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52
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January 25, 2025
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Failed test during make check
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2
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74
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January 24, 2025
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I build Gromacs from source, I get a message that Could NOT find CUDA (missing: CUDA_INCLUDE_DIR)
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4
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722
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December 26, 2024
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Error installation *Make
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1
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85
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December 11, 2024
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Gromacs setup
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0
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68
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December 10, 2024
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