[gmx-users] rtx 2080 gpu

[Stefano Guglielmo]

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

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