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Make not working during gromacs installation
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3
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319
|
May 7, 2026
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Problem installing gmxapi on Ubuntu
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5
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93
|
March 13, 2026
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Installation error, missing libcufft.so.10
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2
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512
|
December 29, 2025
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Error compiling gromacs-2018.8
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5
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1056
|
December 4, 2025
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GROMACS 2025.3 + Plumed +GPU + MPI
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2
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124
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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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145
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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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220
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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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1542
|
September 23, 2025
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GROMACS 2025.3 installation error
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2
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103
|
September 15, 2025
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Filed regression in GROMACS 2025.1
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6
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173
|
August 29, 2025
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Gromacs patched with Libtorch
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1
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57
|
August 29, 2025
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Nvcc error when running CMake
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2
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209
|
August 27, 2025
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Installation Error on WSL2 with CUDA Toolkit
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1
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375
|
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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49
|
August 7, 2025
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Installation of gromacs w/ CUDA & MPI
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2
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1434
|
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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101
|
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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310
|
May 28, 2025
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Gromacs can not recognize my amd gpu
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1
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93
|
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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118
|
April 30, 2025
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Problems building gromacs with CUDA
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0
|
151
|
April 29, 2025
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constant-pH gromacs: Installation error
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5
|
133
|
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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188
|
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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274
|
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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233
|
February 20, 2025
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GROMACS with PLUMED error
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6
|
703
|
February 19, 2025
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Make Error during Gromacs and cp2k build
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0
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60
|
February 12, 2025
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Gromacs All Test Fails
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7
|
288
|
February 12, 2025
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Error during Gromacs-cp2k install
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1
|
102
|
February 12, 2025
|
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The 'make install' step does not install libgromacs_mpi.a
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5
|
70
|
January 25, 2025
|
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Failed test during make check
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2
|
99
|
January 24, 2025
|