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Bug #2217

GPU emulation and separate PME ranks doesn't work properly

Added by Mark Abraham over 2 years ago. Updated almost 2 years ago.

Status:
New
Priority:
Low
Assignee:
-
Category:
mdrun
Target version:
-
Affected version - extra info:
master
Affected version:
Difficulty:
uncategorized
Close

Description

export GMX_EMULATE_GPU=1
mpirun -np 2 bin/gmx_mpi mdrun -s ../../regressiontests/complex/nbnxn_pme/reference_s -npme 1

gives

-------------------------------------------------------
Program:     gmx mdrun, version 2016.3-dev-20170313-078ecb7e8
Source file: src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.cpp (line 114)
MPI rank:    0 (out of 2)

Fatal error:
The neighborlist cluster size in the GPU reference kernel is 0, expected it to
be 8

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

-npme 0 and -npme -1@ do the expected thing, and run two PP ranks.

Note that this is still present in master HEAD fdb4b6c69, ie was neither created nor fixed by recent refactoring


Related issues

Related to GROMACS - Task #2240: GPU emulation mode support for PME missingAccepted

History

#1 Updated by Mark Abraham over 2 years ago

  • Priority changed from Normal to Low

#2 Updated by Aleksei Iupinov over 2 years ago

  • Related to Task #2240: GPU emulation mode support for PME missing added

#3 Updated by Mark Abraham about 2 years ago

  • Target version changed from 2016.4 to 2016.5

#4 Updated by Mark Abraham almost 2 years ago

  • Target version deleted (2016.5)

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