On Wed, Jul 10, 2019 at 2:18 AM Stefano Guglielmo < stefano.guglie...@unito.it> wrote:
> Dear all, > I have a centOS machine equipped with two RTX 2080 cards, with nvidia > drivers 430.2; I installed cuda toolkit 10-1. when executing mdrun the log > reported the following message: > > 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 (R) Cuda compiler > driver;Copyright (c) 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: 10.20 > CUDA runtime: N/A > ˆˆˆ Something was not correct about your CUDA runtime installation. -- Szilárd > > NOTE: Detection of GPUs failed. The API reported: > unknown error > GROMACS cannot run tasks on a GPU. > > Does anyone have any suggestions? > Thanks in advance > Stefano > > > > -- > Stefano GUGLIELMO PhD > Assistant Professor of Medicinal Chemistry > Department of Drug Science and Technology > Via P. Giuria 9 > 10125 Turin, ITALY > ph. +39 (0)11 6707178 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
