-How to solve this problem while installing GROMACS-2018.8 on Dell Tesla C2050. -Previously I installed GROMACS-2018.4 had same problem (one test regressiontests/complex failed) still installed. How does this effect simulation? What kind of error we get if we use gromacs even after failing this test and do some kind of simulations.
35/39 Test #35: regressiontests/complex ..........***Failed 49.02 sec :-) GROMACS - gmx mdrun, 2018.8 (-: GROMACS is written by: Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen Par Bjelkmar Aldert van Buuren Rudi van Drunen Anton Feenstra Gerrit Groenhof Aleksei Iupinov Christoph Junghans Anca Hamuraru Vincent Hindriksen Dimitrios Karkoulis Peter Kasson Jiri Kraus Carsten Kutzner Per Larsson Justin A. Lemkul Viveca Lindahl 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 2018.8 Executable: /home/navneet/Downloads/gromacs-2018.8/build/bin/gmx Data prefix: /home/navneet/Downloads/gromacs-2018.8 (source tree) Working dir: /home/navneet/Downloads/regressiontests-2018.8 Command line: gmx mdrun -h Thanx for Using GROMACS - Have a Nice Day Abnormal return value for ' gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1' was 1 Retrying mdrun with better settings... Re-running nbnxn-vdw-potential-switch using CPU-based PME Re-running nbnxn_pme using CPU-based PME Abnormal return value for ' gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1' was 1 Retrying mdrun with better settings... Re-running octahedron using CPU-based PME Re-running orientation-restraints using CPU-based PME Re-running pull_geometry_angle using CPU-based PME Re-running pull_geometry_angle-axis using CPU-based PME Re-running pull_geometry_dihedral using CPU-based PME Re-running swap_x using CPU-based PME FAILED. Check checkforce.out (2 errors) file(s) in swap_y for swap_y Re-running swap_y using CPU-based PME FAILED. Check checkforce.out (1 errors) file(s) in swap_z for swap_z Re-running swap_z using CPU-based PME FAILED. Check checkforce.out (1 errors) file(s) in tip4p_continue for tip4p_continue 3 out of 61 complex tests FAILED Start 36: regressiontests/kernel 36/39 Test #36: regressiontests/kernel ........... Passed 81.99 sec Start 37: regressiontests/freeenergy 37/39 Test #37: regressiontests/freeenergy ....... Passed 11.30 sec Start 38: regressiontests/pdb2gmx 38/39 Test #38: regressiontests/pdb2gmx .......... Passed 16.82 sec Start 39: regressiontests/rotation 39/39 Test #39: regressiontests/rotation ......... Passed 5.86 sec 97% tests passed, 1 tests failed out of 39 Label Time Summary: GTest = 15.68 sec (33 tests) IntegrationTest = 8.81 sec (3 tests) MpiTest = 0.18 sec (3 tests) UnitTest = 6.87 sec (30 tests) Total Test time (real) = 187.17 sec The following tests FAILED: 35 - regressiontests/complex (Failed) Errors while running CTest CMakeFiles/run-ctest-nophys.dir/build.make:57: recipe for target 'CMakeFiles/run-ctest-nophys' failed make[3]: *** [CMakeFiles/run-ctest-nophys] Error 8 CMakeFiles/Makefile2:1160: recipe for target 'CMakeFiles/run-ctest-nophys.dir/all' failed make[2]: *** [CMakeFiles/run-ctest-nophys.dir/all] Error 2 CMakeFiles/Makefile2:971: recipe for target 'CMakeFiles/check.dir/rule' failed make[1]: *** [CMakeFiles/check.dir/rule] Error 2 Makefile:546: recipe for target 'check' failed make: *** [check] Error 2 _____________________________ Regards Navneet Kumar -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.