# Does gromacs not support Tesla V100 GPU? **URL:** \ **Category:** User discussions\ **Created:** [July 16, 2020, 9:49am UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508 "2020-07-16T09:49:37Z")\ **Posts on this page:** 5\ **Page:** 1
**Author:** ![Jason](https://avatars.discourse-cdn.com/v4/letter/j/dc4da7/32.png) [@Jason](https://gromacs.bioexcel.eu/u/Jason)\ **Post date:** [July 16, 2020, 9:49am UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508/1 "2020-07-16T09:49:37Z")
GROMACS version: 2019.3. GROMACS modification: Yes/No Here post your question Dear all, I am trying to do gromacs MD simulation on a computer equipping with 8 Tesla V100 GPUs. I give the following command: gmx mdrun -v -deffnm md -gpu\_id 0,1,2,3 However it returns the following error: Fatal error: You limited the set of compatible GPUs to a set that included ID #0, but that ID is not for a compatible GPU. List only compatible GPUs. The error tells that GPU ID #0 is not compatible, but actually changing the GPU ID from 0 to 7 will all produce the same error. Do it mean that gromacs do not support Tesla V100 GPU, or is there anything wrong with the mdrun command? Thank you! ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [July 16, 2020, 2:45pm UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508/2 "2020-07-16T14:45:35Z")
We use V100s all the time. More likely something is wrong with the hardware or driver on those GPUs that leads to a detection failure. ---
**Author:** ![kevinboyd](https://avatars.discourse-cdn.com/v4/letter/k/c77e96/32.png) [@kevinboyd](https://gromacs.bioexcel.eu/u/kevinboyd)\ **Post date:** [July 18, 2020, 11:07pm UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508/3 "2020-07-18T23:07:14Z")
Justin’s correct, V100’s are fine. We may be able to help a bit if you post the log file. ---
**Author:** ![Jason](https://avatars.discourse-cdn.com/v4/letter/j/dc4da7/32.png) [@Jason](https://gromacs.bioexcel.eu/u/Jason)\ **Post date:** [July 19, 2020, 10:30am UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508/4 "2020-07-19T10:30:12Z")
Hello, Kevin, The complete log file is: :-) GROMACS - gmx mdrun, 2019.2 (-: ``` GROMACS is written by: Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen Par Bjelkmar Christian Blau Viacheslav Bolnykh Kevin Boyd ``` Aldert van Buuren Rudi van Drunen Anton Feenstra Alan Gray Gerrit Groenhof Anca Hamuraru Vincent Hindriksen M. Eric Irrgang Aleksei Iupinov Christoph Junghans Joe Jordan Dimitrios Karkoulis Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson Justin A. Lemkul Viveca Lindahl Magnus Lundborg Erik Marklund Pascal Merz Pieter Meulenhoff Teemu Murtola Szilard Pall Sander Pronk Roland Schulz Michael Shirts Alexey Shvetsov Alfons Sijbers Peter Tieleman Jon Vincent Teemu Virolainen Christian Wennberg Maarten Wolf and the project leaders: Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel Copyright © 1991-2000, University of Groningen, The Netherlands. Copyright © 2001-2018, The GROMACS development team at Uppsala University, Stockholm University and the Royal Institute of Technology, Sweden. check out [http://www.gromacs.org](http://www.gromacs.org) for more information. GROMACS is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version. GROMACS: gmx mdrun, version 2019.2 Executable: /home/sxcryoem/Softwares/gromacs-2019.2/build/bin/gmx Data prefix: /usr/local/gromacs Working dir: /home/sxcryoem/sunyp/projects/NA/1myN2-native/5\_md\_1 Process ID: 215612 Command line: gmx mdrun -v -deffnm md\_1 -gpu\_id 7 GROMACS version: 2019.2 Precision: single Memory model: 64 bit MPI library: thread\_mpi OpenMP support: enabled (GMX\_OPENMP\_MAX\_THREADS = 64) GPU support: CUDA SIMD instructions: NONE FFT library: fftw-3.3.8 RDTSCP usage: disabled TNG support: enabled Hwloc support: disabled Tracing support: disabled C compiler: /usr/bin/cc GNU 4.8.5 C compiler flags: -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast C++ compiler: /usr/bin/c++ GNU 4.8.5 C++ compiler flags: -std=c++11 -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast CUDA compiler: /usr/local/cuda/bin/nvcc nvcc: NVIDIA ® Cuda compiler driver;Copyright © 2005-2019 NVIDIA Corporation;Built on Wed\_Apr\_24\_19:10:27\_PDT\_2019;Cuda compilation tools, release 10.1, V10.1.168 CUDA compiler flags:-gencode;arch=compute\_30,code=sm\_30;-gencode;arch=compute\_35,code=sm\_35;-gencode;arch=compute\_37,code=sm\_37;-gencode;arch=compute\_50,code=sm\_50;-gencode;arch=compute\_52,code=sm\_52;-gencode;arch=compute\_60,code=sm\_60;-gencode;arch=compute\_61,code=sm\_61;-gencode;arch=compute\_70,code=sm\_70;-gencode;arch=compute\_75,code=compute\_75;-use\_fast\_math;;; ;-std=c++11;-O3;-DNDEBUG;-funroll-all-loops;-fexcess-precision=fast; CUDA driver: 10.0 CUDA runtime: N/A NOTE: Detection of GPUs failed. The API reported: CUDA driver version is insufficient for CUDA runtime version GROMACS cannot run tasks on a GPU. Running on 1 node with total 48 cores, 96 logical cores, 0 compatible GPUs Hardware detected: CPU info: Vendor: Intel Brand: Intel® Xeon® Platinum 8160M CPU @ 2.10GHz Family: 6 Model: 85 Stepping: 4 Features: aes apic avx avx2 avx512f avx512cd avx512bw avx512vl clfsh cmov cx8 cx16 f16c fma hle htt intel lahf mmx msr nonstop\_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp rtm sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic Number of AVX-512 FMA units: Cannot run AVX-512 detection - assuming 2 Hardware topology: Basic Sockets, cores, and logical processors: Socket 0: [0 48] [1 49] [2 50] [3 51] [4 52] [5 53] [6 54] [7 55] [8 56] [9 57] [10 58] [11 59] [12 60] [13 61] [14 62] [15 63] [16 64] [17 65] [18 66] [19 67] [20 68] [21 69] [22 70] [23 71] Socket 1: [24 72] [25 73] [26 74] [27 75] [28 76] [29 77] [30 78] [31 79] [32 80] [33 81] [34 82] [35 83] [36 84] [37 85] [38 86] [39 87] [40 88] [41 89] [42 90] [43 91] [44 92] [45 93] [46 94] [47 95] Highest SIMD level requested by all nodes in run: AVX\_512 SIMD instructions selected at compile time: None This program was compiled for different hardware than you are running on, which could influence performance. The current CPU can measure timings more accurately than the code in gmx mdrun was configured to use. This might affect your simulation speed as accurate timings are needed for load-balancing. Please consider rebuilding gmx mdrun with the GMX\_USE\_RDTSCP=ON CMake option. * * * Program: gmx mdrun, version 2019.2 Source file: src/gromacs/mdrun/runner.cpp (line 531) Fatal error: You limited the set of compatible GPUs to a set that included ID #7, but that ID is not for a compatible GPU. List only compatible GPUs. ## For more information and tips for troubleshooting, please check the GROMACS website at [http://www.gromacs.org/Documentation/Errors](http://www.gromacs.org/Documentation/Errors) ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [July 19, 2020, 10:41am UTC](https://gromacs.bioexcel.eu/t/does-gromacs-not-support-tesla-v100-gpu/508/5 "2020-07-19T10:41:43Z")
> [@Jason](#): > > CUDA runtime: N/A > > NOTE: Detection of GPUs failed. The API reported: > CUDA driver version is insufficient for CUDA runtime version > GROMACS cannot run tasks on a GPU. You have a CUDA runtime issue, so `mdrun` basically concludes that the GPUs aren’t working.