[gmx-developers] Regression test fails due to "inconsistency in user input"

[Andreas Baer]

Dear developer team,

I just build Gromacs on a machine with 36 cores and 4 GPUs. For further 
details on the hardware see md.log.
One of the complex regression tests failed (nbnxn_vsite) and in the 
mdrun.out (see attachment) file it says:

Inconsistency in user input:
There were 6 GPU tasks found on node sun-gpu-1, but 4 GPUs were 
available. If
the GPUs are equivalent, then it is usually best to have a number of tasks
that is a multiple of the number of GPUs. You should reconsider your GPU 
task
assignment, number of ranks, or your use of the -nb, -pme, and -npme 
options,
perhaps after measuring the performance you can get.

Apparently, this means, that Gromacs works fine. Still, I find it 
undesirable that a test fails, due to this inconsistency in test input / 
hardware used.

If you need any further information, please let me know.

Best regards,
Andreas Baer
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                      :-) GROMACS - gmx mdrun, 2019.4 (-:

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  Gerrit Groenhof     Anca Hamuraru    Vincent Hindriksen  M. Eric Irrgang  
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   Alfons Sijbers     Peter Tieleman      Jon Vincent      Teemu Virolainen 
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                           and the project leaders:
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Copyright (c) 2001-2018, The GROMACS development team at
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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 2019.4
Executable:   /home/a.baer/Gromacs/2019.4/bin/gmx
Data prefix:  /home/a.baer/Gromacs/2019.4
Working dir:  /home/a.baer/Gromacs/regressiontests/regressiontests-2019.4/complex/nbnxn_vsite
Command line:
  gmx mdrun -ntmpi 6 -notunepme

Reading file topol.tpr, VERSION 2019.4 (single precision)
Can not increase nstlist because verlet-buffer-tolerance is not set or used
Using 6 MPI threads
Using 6 OpenMP threads per tMPI thread


-------------------------------------------------------
Program:     gmx mdrun, version 2019.4
Source file: src/gromacs/taskassignment/taskassignment.cpp (line 255)
Function:    std::vector<std::vector<gmx::GpuTaskMapping> >::value_type gmx::runTaskAssignment(const std::vector<int>&, const std::vector<int>&, const gmx_hw_info_t&, const gmx::MDLogger&, const t_commrec*, const gmx_multisim_t*, const gmx::PhysicalNodeCommunicator&, const std::vector<gmx::GpuTask>&, bool, PmeRunMode)
MPI rank:    0 (out of 6)

Inconsistency in user input:
There were 6 GPU tasks found on node sun-gpu-1, but 4 GPUs were available. If
the GPUs are equivalent, then it is usually best to have a number of tasks
that is a multiple of the number of GPUs. You should reconsider your GPU task
assignment, number of ranks, or your use of the -nb, -pme, and -npme options,
perhaps after measuring the performance you can get.

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