4 Regression test failed

User discussions
1

I have been struggling to compile GROMACS version:2021.2 and even beta 3 and the error is the same. 4 out of 73 test failed during make check. Plsease advice me what to do

cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF -DGMX_GPU=CUDA -DGMX_MPI=ON -DMPI_C_COMPILER=mpicc

Abnormal return value for ‘/usr/local/bin/mpiexec -np 8 -wdir /home/akinyemi/Downloads/gromacs-2021.2/build/tests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /home/akinyemi/Downloads/gromacs-2021.2/build/tests/regressiontests-2021.2/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1’ was -1
Essential dynamics tests FAILED with 7 errors!

95% tests passed, 4 tests failed out of 73

Label Time Summary:
GTest = 189.84 sec proc (67 tests)
IntegrationTest = 72.87 sec proc (20 tests)
MpiTest = 106.21 sec proc (10 tests)
SlowTest = 104.14 sec proc (8 tests)
UnitTest = 12.83 sec*proc (39 tests)

Total Test time (real) = 278.54 sec

The following tests FAILED:
70 - regressiontests/complex (Failed)
71 - regressiontests/freeenergy (Failed)
72 - regressiontests/rotation (Failed)
73 - regressiontests/essentialdynamics (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest-nophys.dir/build.make:71: CMakeFiles/run-ctest-nophys] Error 8
make[2]: *** [CMakeFiles/Makefile2:2370: CMakeFiles/run-ctest-nophys.dir/all] Error 2
make[1]: *** [CMakeFiles/Makefile2:2350: CMakeFiles/check.dir/rule] Error 2
make: *** [Makefile:251: check] Error 2

2

Hi,
it looks a bug to me, please file the issue in gitlab and link it to the issue intermittent failure of essentialdynamics test - Redmine #3016 (#3016) · Issues · GROMACS / GROMACS · GitLab, since they may be connected.
If you are not using essential dynamics, you can go on using the installation without problem.
Best regards
Alessandra

3

umm I got same issue.
I use OPENmpi and tried
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DGMX_MPI=ON

95% tests passed, 4 tests failed out of 73

Label Time Summary:
GTest = 163.52 secproc (67 tests)
IntegrationTest = 56.59 secproc (20 tests)
MpiTest = 102.82 secproc (10 tests)
SlowTest = 100.27 secproc (8 tests)
UnitTest = 6.66 sec*proc (39 tests)

Total Test time (real) = 195.19 sec

The following tests FAILED:
70 - regressiontests/complex (Failed)
71 - regressiontests/freeenergy (Failed)
72 - regressiontests/rotation (Failed)
73 - regressiontests/essentialdynamics (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest-nophys.dir/build.make:58: CMakeFiles/run-ctest-nophys] error 8
make[2]: *** [CMakeFiles/Makefile2:2733: CMakeFiles/run-ctest-nophys.dir/all] error 2
make[1]: *** [CMakeFiles/Makefile2:2712: CMakeFiles/check.dir/rule] error 2
make: *** [Makefile:249: check] error 2

I tried this with GROMACS version:2021.2 & 2021 but it showed same.

4

I am also getting same error in both gromacs-2020.6 and gromacs-2021.4 during the make check step.

error output of make check::


93% tests passed, 4 tests failed out of 59

Label Time Summary:
GTest              =  38.22 sec*proc (55 tests)
IntegrationTest    =  12.68 sec*proc (12 tests)
MpiTest            =  25.20 sec*proc (8 tests)
SlowTest           =  20.92 sec*proc (2 tests)
UnitTest           =   4.63 sec*proc (41 tests)

Total Test time (real) =  38.33 sec

The following tests FAILED:
	 56 - regressiontests/complex (Failed)
	 57 - regressiontests/freeenergy (Failed)
	 58 - regressiontests/rotation (Failed)
	 59 - regressiontests/essentialdynamics (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest-nophys.dir/build.make:71: CMakeFiles/run-ctest-nophys] Error 8
make[2]: *** [CMakeFiles/Makefile2:2892: CMakeFiles/run-ctest-nophys.dir/all] Error 2
make[1]: *** [CMakeFiles/Makefile2:2925: CMakeFiles/check.dir/rule] Error 2
make: *** [Makefile:641: check] Error 2

this output is during installation of gromacs-2020.6 version, and in gromacs-2021.4 also I am getting same this 4 regression test fail error.