FAILED. Check checkforce.out (2 errors) file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw Mdrun cannot use the requested (or automatic) number of ranks, retrying with 8. $ 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 Copyright (c) 1991-2000, University of Groningen, The Netherlands. Copyright (c) 2001-2018, 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, version 2019-beta3-dev-20181108-d536de3 Executable: /home/pszilard/gromacs-19/build_p8_gcc7_fftw337/bin/gmx Data prefix: /home/pszilard/gromacs-19 (source tree) Working dir: /home/pszilard/gromacs-19/build_p8_gcc7_fftw337 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 *(from redmine: issue id 2746, created on 2018-11-08 by pszilard, closed on 2019-02-13)* * Relations: * relates #2734 * relates #2747 * relates #3057 * Changesets: * Revision 4a7281ef0020d0ff454608a3ee98b9984a6ac11e by Szilárd Páll on 2019-02-13T15:50:05Z: ``` Disable instruction fusion on Power8 The -mpower8-fusion flag seems to be the source of incorrect code; not confirmed, but likely a codegen issue that also affects Power9 with the similar flag used. Fixes #2747 #2746 #2734 Change-Id: I56f50e54db47f4fe30c42488f4c4f79ac474518a ``` * Revision 1ce795fe5693e9790eb7c33896f47d4953867127 by Szilárd Páll on 2019-02-19T13:17:17Z: ``` Disable instruction fusion on Power8 The -mpower8-fusion flag seems to be the source of incorrect code; not confirmed, but likely a codegen issue that also affects Power9 with the similar flag used. Fixes #2747 #2746 #2734 Change-Id: I56f50e54db47f4fe30c42488f4c4f79ac474518a ``` * Uploads: * [checkforce.out](/uploads/e1564a94f2c1306dc81ace9d45dc6be2/checkforce.out)