# GPU is not detected **URL:** \ **Category:** User discussions\ **Created:** [March 20, 2025, 1:52pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779 "2025-03-20T13:52:06Z")\ **Posts on this page:** 6\ **Page:** 1
**Author:** ![GuilleB](https://avatars.discourse-cdn.com/v4/letter/g/278dde/32.png) [@GuilleB](https://gromacs.bioexcel.eu/u/GuilleB)\ **Post date:** [March 20, 2025, 1:52pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/1 "2025-03-20T13:52:06Z")
GROMACS version: 2025.1 GROMACS modification: Yes/No Hello, I am trying to run GROMACS and I getting the following error: Fatal error: Cannot run short-ranged nonbonded interactions on a GPU because no GPU is detected. Nevertheless, when I run “gmx --version” I get this: GROMACS version: 2025.1 Precision: mixed Memory model: 64 bit MPI library: thread\_mpi OpenMP support: enabled (GMX\_OPENMP\_MAX\_THREADS = 128) GPU support: CUDA NBNxM GPU setup: super-cluster 2x2x2 / cluster 8 (cluster-pair splitting on) SIMD instructions: AVX2\_256 CPU FFT library: fftw-3.3.10-sse2-avx-avx2-avx2\_128 GPU FFT library: cuFFT Multi-GPU FFT: none RDTSCP usage: enabled TNG support: enabled Hwloc support: disabled Tracing support: disabled C compiler: /usr/bin/cc GNU 11.4.0 C compiler flags: -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wno-missing-field-initializers -O3 -DNDEBUG C++ compiler: /usr/bin/c++ GNU 11.4.0 C++ compiler flags: -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wno-missing-field-initializers -Wno-cast-function-type-strict SHELL:-fopenmp -O3 -DNDEBUG BLAS library: Internal LAPACK library: Internal CUDA compiler: /usr/local/cuda-12/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2025 NVIDIA Corporation;Built on Fri\_Feb\_21\_20:23:50\_PST\_2025;Cuda compilation tools, release 12.8, V12.8.93;Build cuda\_12.8.r12.8/compiler.35583870\_0 CUDA compiler flags: -O3 -DNDEBUG CUDA driver: 12.80 CUDA runtime: 12.80 I installed the software with the following options: cmake .. -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA -DCMAKE\_PREFIX\_PATH=/usr/local/cuda-12 The error message appears when I run the command mdrun with the -nb gpu option. If I don’t use this option no error message appears, but the CPU is used instead of the GPU. ---
**Author:** ![l0vepe0ple](https://avatars.discourse-cdn.com/v4/letter/l/bc8723/32.png) [@l0vepe0ple](https://gromacs.bioexcel.eu/u/l0vepe0ple)\ **Post date:** [March 20, 2025, 3:23pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/2 "2025-03-20T15:23:32Z")
I have same problem, but with amd gpu. Can u show output of mdrun with -nb gpu? Or check my issue (GROMACS cant detect GPU (AMD)) and compare full description of error. May be problem with new gromacs version. ---
**Author:** ![GuilleB](https://avatars.discourse-cdn.com/v4/letter/g/278dde/32.png) [@GuilleB](https://gromacs.bioexcel.eu/u/GuilleB)\ **Post date:** [March 21, 2025, 5:01pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/3 "2025-03-21T17:01:07Z")
Hi! The output is exactly the same. As you say, it seems that the new gromacs version is the problem ---
**Author:** ![l0vepe0ple](https://avatars.discourse-cdn.com/v4/letter/l/bc8723/32.png) [@l0vepe0ple](https://gromacs.bioexcel.eu/u/l0vepe0ple)\ **Post date:** [March 21, 2025, 5:38pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/4 "2025-03-21T17:38:48Z")
ive reinstalled all the bound programs and drivers (full new rocm, adaptivecpp, hip, llvm), but the result is still the same. ---
**Author:** ![l0vepe0ple](https://avatars.discourse-cdn.com/v4/letter/l/bc8723/32.png) [@l0vepe0ple](https://gromacs.bioexcel.eu/u/l0vepe0ple)\ **Post date:** [March 22, 2025, 9:24am UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/5 "2025-03-22T09:24:48Z")
I think ive found a solution, at least for my case. Try to use GMX\_CUDA\_TARGET\_SM (whith ur sm version) flag in cmake. For more info check my issue or contact with me. ---
**Author:** ![GuilleB](https://avatars.discourse-cdn.com/v4/letter/g/278dde/32.png) [@GuilleB](https://gromacs.bioexcel.eu/u/GuilleB)\ **Post date:** [March 25, 2025, 1:13pm UTC](https://gromacs.bioexcel.eu/t/gpu-is-not-detected/11779/6 "2025-03-25T13:13:39Z")
Thanks! I ended up installing the 2024.4 version and it worked, but your solution may be useful for the newest version.