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Installation of gromacs w/ CUDA & MPI
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2
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1303
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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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16
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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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23
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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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32
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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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23
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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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39
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April 29, 2025
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Filed regression in GROMACS 2025.1
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0
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36
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April 18, 2025
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constant-pH gromacs: Installation error
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5
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32
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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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84
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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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99
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March 30, 2025
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Error compiling gromacs 2025.0 with CUDA
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5
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596
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March 10, 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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100
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February 20, 2025
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GROMACS with PLUMED error
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6
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226
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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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24
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February 12, 2025
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Gromacs All Test Fails
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7
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119
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February 12, 2025
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Error during Gromacs-cp2k install
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1
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39
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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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40
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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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50
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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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521
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December 26, 2024
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Error installation *Make
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1
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63
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December 11, 2024
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Gromacs setup
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0
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53
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December 10, 2024
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GROMACS nmake error1181
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5
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71
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November 28, 2024
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NMake error with cl compiler and CUDA GPU acceleration: unknown option ‘-std:c++17
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0
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38
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November 27, 2024
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Error in Gromacs installation on GPU
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18
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2056
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November 13, 2024
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Gromacs on Ubuntu 24.04.10 LTS
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2
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342
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November 11, 2024
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Installing Gromacs on Windows
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3
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497
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October 31, 2024
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New Intel icx and icpx compilers | use of undeclared identifier 'getenv'
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4
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252
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September 12, 2024
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"'automake-1.15' is probably too old." error when trying to install
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1
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265
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July 16, 2024
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Error in running gmx_MMPBSA_test
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0
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110
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July 16, 2024
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CUDA enabled Gromacs Cp2k installation error
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2
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393
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July 14, 2024
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