[gmx-users] regressiontests/complex (Failed)

[Navneet Kumar]

-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 (-:

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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

_____________________________

Regards
Navneet Kumar