[gmx-users] c2075 is not detected by gmx

[Mahmood Naderan]

>Did you install the CUDA toolbox and drivers ?  
 >What is the output from "nvidia-smi" ?

Yes it is working. Please see the full output below


$ nvidia-smi 
Mon Nov 25 08:53:22 2019       
+------------------------------------------------------+                       
| NVIDIA-SMI 352.99     Driver Version: 352.99         |                       
|-------------------------------+----------------------+----------------------+
| GPU  Name        Persistence-M| Bus-Id        Disp.A | Volatile Uncorr. ECC |
| Fan  Temp  Perf  Pwr:Usage/Cap|         Memory-Usage | GPU-Util  Compute M. |
|===============================+======================+======================|
|   0  Tesla C2075         Off  | 0000:26:00.0      On |                  143 |
| 30%   41C    P0    77W / 225W |    221MiB /  5372MiB |      0%      Default |
+-------------------------------+----------------------+----------------------+
                                                                               
+-----------------------------------------------------------------------------+
| Processes:                                                       GPU Memory |
|  GPU       PID  Type  Process name                               Usage      |
|=============================================================================|
|  No running processes found                                                 |
+-----------------------------------------------------------------------------+
mahmood at c2075:~$ 
$ ~/gromacs/gromacs-2018.3/single/bin/gmx mdrun -nb gpu -v -deffnm nvt_5k
                      :-) GROMACS - gmx mdrun, 2018.3 (-:

                            GROMACS is written by:
     Emile Apol      Rossen Apostolov      Paul Bauer     Herman J.C. Berendsen
    Par Bjelkmar    Aldert van Buuren   Rudi van Drunen     Anton Feenstra  
  Gerrit Groenhof    Aleksei Iupinov   Christoph Junghans   Anca Hamuraru   
 Vincent Hindriksen Dimitrios Karkoulis    Peter Kasson        Jiri Kraus    
  Carsten Kutzner      Per Larsson      Justin A. Lemkul    Viveca Lindahl  
  Magnus Lundborg   Pieter Meulenhoff    Erik Marklund      Teemu Murtola   
    Szilard Pall       Sander Pronk      Roland Schulz     Alexey Shvetsov  
   Michael Shirts     Alfons Sijbers     Peter Tieleman    Teemu Virolainen 
 Christian Wennberg    Maarten Wolf   
                           and the project leaders:
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2017, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out 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 2018.3
Executable:   /home/mahmood/gromacs/gromacs-2018.3/single/bin/gmx
Data prefix:  /home/mahmood/gromacs/gromacs-2018.3/single
Working dir:  /home/mahmood/gromacs
Command line:
  gmx mdrun -nb gpu -v -deffnm nvt_5k


Back Off! I just backed up nvt_5k.log to ./#nvt_5k.log.4#

WARNING: An error occurred while sanity checking device #0; cudaErrorMemoryAllocation: out of memory

Compiled SIMD: None, but for this host/run AVX2_128 might be better (see log).
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.
Reading file nvt_5k.tpr, VERSION 2018.3 (single precision)
Changing nstlist from 20 to 100, rlist from 1.023 to 1.147


Using 1 MPI thread
Using 16 OpenMP threads 


-------------------------------------------------------
Program:     gmx mdrun, version 2018.3
Source file: src/programs/mdrun/runner.cpp (line 1001)

Fatal error:
Cannot run short-ranged nonbonded interactions on a GPU because there is none
detected.

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------









Regards,
Mahmood