[gmx-users] HtoD cudaMemcpyAsync failed: invalid argument

[Navneet Kumar Singh]

This is make check reuslt

------------------------------------------------------------------------------------
100% tests passed, 0 tests failed out of 27

Label Time Summary:
GTest                 =   1.24 sec*proc (18 tests)
IntegrationTest       =   5.93 sec*proc (2 tests)
MpiIntegrationTest    =   0.44 sec*proc (1 test)
UnitTest              =   1.24 sec*proc (18 tests)

Total Test time (real) = 204.82 sec
[100%] Built target run-ctest
[100%] Built target check
_______________________________________________________________________________________

Meaning installation was fine.

I have used gcc-6 as previously it was throwing error not to use gcc
version latter than than 6.0 .

On Tue, Aug 27, 2019 at 12:00 AM Navneet Kumar Singh <navneetcdl at gmail.com>
wrote:

> What kind of error is this. Previously Gromacs 2018.4 version was running
> fine using GPU. But Now this error I am getting.
>
> _________________________________________________________
>
> gmx mdrun -v -deffnm em
>                       :-) GROMACS - gmx mdrun, 2016.5 (-:
>
>                             GROMACS is written by:
>      Emile Apol      Rossen Apostolov  Herman J.C. Berendsen    Par
> Bjelkmar
>  Aldert van Buuren   Rudi van Drunen     Anton Feenstra    Gerrit Groenhof
>
>  Christoph Junghans   Anca Hamuraru    Vincent Hindriksen Dimitrios
> Karkoulis
>     Peter Kasson        Jiri Kraus      Carsten Kutzner      Per Larsson
>
>   Justin A. Lemkul   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 2016.5
> Executable:   /usr/local/gromacs/bin/gmx
> Data prefix:  /usr/local/gromacs
> Working dir:  /home/nitttr/Desktop/Hydroxy_chloroquine
> Command line:
>   gmx mdrun -v -deffnm em
>
>
> Back Off! I just backed up em.log to ./#em.log.7#
>
> Running on 1 node with total 16 cores, 32 logical cores, 1 compatible GPU
> Hardware detected:
>   CPU info:
>     Vendor: Intel
>     Brand:  Intel(R) Xeon(R) Silver 4110 CPU @ 2.10GHz
>     SIMD instructions most likely to fit this hardware: AVX_512
>     SIMD instructions selected at GROMACS compile time: AVX_512
>
>   Hardware topology: Basic
>   GPU info:
>     Number of GPUs detected: 1
>     #0: NVIDIA Tesla P4, compute cap.: 6.1, ECC: yes, stat: compatible
>
> Reading file em.tpr, VERSION 2016.5 (single precision)
> Using 1 MPI thread
> Using 32 OpenMP threads
>
> 1 compatible GPU is present, with ID 0
> 1 GPU auto-selected for this run.
> Mapping of GPU ID to the 1 PP rank in this node: 0
>
> Application clocks (GPU clocks) for Tesla P4 are (3003,1531)
>
> Back Off! I just backed up em.trr to ./#em.trr.7#
>
> Back Off! I just backed up em.edr to ./#em.edr.7#
>
> Steepest Descents:
>    Tolerance (Fmax)   =  1.00000e+03
>    Number of steps    =        50000
>
> -------------------------------------------------------
> Program:     gmx mdrun, version 2016.5
> Source file: src/gromacs/gpu_utils/cudautils.cu (line 105)
>
> Fatal error:
> HtoD cudaMemcpyAsync failed: invalid argument
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> --
>
>
>
>
>
>
>      Thanks & Regards
> _______________________________________________________
>
> [image: photo]
> *NAVNEET KUMAR*
> Doctoral Student
> Dept. of Pharmacoinformatics
> National Institute of Pharmaceutical Education and Research, Sector 67,
> S.A.S. Nagar - 160062, Punjab (INDIA)
> P +918017967647  <+918017967647> |
> E navneetcdl at gmail.com  <navneetcdl at gmail.com>
> <http://www.linkedin.com/in/navneet-kumar-74391814a/>
> <http://facebook.com/xeon.singh> <http://instagram.com/snavneetkumar>
>
> Please consider your environmental responsibility. Before printing this
> e-mail message, ask yourself whether you really need a hard copy.
>
>
>
>

-- 






     Thanks & Regards
_______________________________________________________

[image: photo]
*NAVNEET KUMAR*
Doctoral Student
Dept. of Pharmacoinformatics
National Institute of Pharmaceutical Education and Research, Sector 67,
S.A.S. Nagar - 160062, Punjab (INDIA)
P +918017967647  <+918017967647> |
E navneetcdl at gmail.com  <navneetcdl at gmail.com>
<http://www.linkedin.com/in/navneet-kumar-74391814a/>
<http://facebook.com/xeon.singh> <http://instagram.com/snavneetkumar>

Please consider your environmental responsibility. Before printing this
e-mail message, ask yourself whether you really need a hard copy.