[gmx-users] rtx 2080 gpu

[Szilárd Páll]

On Wed, Jul 10, 2019 at 2:18 AM Stefano Guglielmo <
stefano.guglielmo at 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
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