[gmx-users] regressiontests/complex (Failed)

[Navneet Kumar]

Hello Everyone!

-During installation GROMACS-2018.8 on ubuntu with Tesla C2050
-During step - "sudo make check"
-One test (regressiontests/complex) out of 39 tests failed.
attached details while installation
____________________________________________________________

35/39 Test #35: regressiontests/complex ..........***Failed   49.02 sec
                      :-) GROMACS - gmx mdrun, 2018.8 (-:

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Berendsen
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 Vincent Hindriksen Dimitrios Karkoulis    Peter Kasson        Jiri Kraus

  Carsten Kutzner      Per Larsson      Justin A. Lemkul    Viveca Lindahl
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        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

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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
_____________________________________________________________________
 How to solve this error.
Earlier this error also arises while installing GROMACS-2018.4 on the same
system. How to solve this problem.
What artefacts/error one can expect even if we install the gromacs after
this particular test fails.

Regards
Navneet