Bug #2747

nb_kernel_ElecEwSw_VdwBhamSw_GeomW4W4 regressiontest failing on Power8

Added by Szilárd Páll 2 months ago. Updated 16 days ago.

Target version:
Affected version - extra info:
Affected version:


$ bin/gmx -version 
             :-) GROMACS - gmx, 2019-beta3-dev-20181108-d536de3 (-:

                            GROMACS is written by:
     Emile Apol      Rossen Apostolov      Paul Bauer     Herman J.C. Berendsen
    Par Bjelkmar      Christian Blau   Viacheslav Bolnykh     Kevin Boyd    
 Aldert van Buuren   Rudi van Drunen     Anton Feenstra    Gerrit Groenhof  
   Anca Hamuraru    Vincent Hindriksen  M. Eric Irrgang    Aleksei Iupinov  
 Christoph Junghans     Joe Jordan     Dimitrios Karkoulis    Peter Kasson   
     Jiri Kraus      Carsten Kutzner      Per Larsson      Justin A. Lemkul 
   Viveca Lindahl    Magnus Lundborg     Erik Marklund       Pascal Merz    
 Pieter Meulenhoff    Teemu Murtola       Szilard Pall       Sander Pronk   
   Roland Schulz      Michael Shirts    Alexey Shvetsov     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

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Uppsala University, Stockholm University and
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check out for more information.

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as published by the Free Software Foundation; either version 2.1
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GROMACS:      gmx, version 2019-beta3-dev-20181108-d536de3
Executable:   /home/pszilard/gromacs-19/build_p8_gcc7_fftw-own_double/bin/gmx
Data prefix:  /home/pszilard/gromacs-19 (source tree)
Working dir:  /home/pszilard/gromacs-19/build_p8_gcc7_fftw-own_double
Command line:
  gmx -version

GROMACS version:    2019-beta3-dev-20181108-d536de3
GIT SHA1 hash:      d536de3b5125b79d4222768e356c4914e0758d5a
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        disabled
SIMD instructions:  IBM_VSX
FFT library:        fftw-3.3.8
RDTSCP usage:       disabled
TNG support:        enabled
Hwloc support:      hwloc-1.11.8
Tracing support:    disabled
C compiler:         /home/pszilard/programs/gcc/7.3/bin/gcc GNU 7.3.0
C compiler flags:   -mcpu=power8 -mpower8-vector -mpower8-fusion -mdirect-move  -mvsx    -Werror=format-overflow -Wundef -Wextra -Wno-missing-field-initializers -Wno-sign-compare -Wpointer-arith -Wall -Wno-unused -Wunused-value -Wunused-parameter  -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds 
C++ compiler:       /home/pszilard/programs/gcc/7.3/bin/g++ GNU 7.3.0
C++ compiler flags: -mcpu=power8 -mpower8-vector -mpower8-fusion -mdirect-move  -mvsx    -std=c++11  -Wformat-overflow -Wundef -Wextra -Wno-missing-field-initializers -Wpointer-arith -Wmissing-declarations -Wall  -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds 
checkforce.out (12.2 KB) checkforce.out Szilárd Páll, 11/08/2018 03:53 PM

Related issues

Related to GROMACS - Bug #2734: regressiontests/kernel core dumps on ppc64leFeedback wanted
Related to GROMACS - Bug #2746: regressiontests/freeenergy coulandvdwsequential_vdw failing on Power8New


#1 Updated by Erik Lindahl 16 days ago

They passed with gcc-8.2 for me, but instead two of the complex tests failed.

#2 Updated by Mark Abraham 16 days ago

  • Target version set to 2019.1

Per #2746, I suggest we stop supporting power8.

Setting a version so that we force ourselves to make a decision.

#3 Updated by Mark Abraham 16 days ago

  • Related to Bug #2734: regressiontests/kernel core dumps on ppc64le added

#4 Updated by Mark Abraham 16 days ago

  • Related to Bug #2746: regressiontests/freeenergy coulandvdwsequential_vdw failing on Power8 added

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