[gmx-users] regression test errors

[Dave M]

Hi All,

I am trying to install gromacs2019.4 with:
cmake ..  -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=on -DGMX_MPI=on
-DGMX_GPU=on -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs2019_4
-DGMX_FFT_LIBRARY=fftw3 -DCMAKE_BUILD_TYPE=Debug

But 5 tests (41 to 46) were failed copied below:


The following tests FAILED:

41 - regressiontests/simple (Failed)

42 - regressiontests/complex (Failed)

43 - regressiontests/kernel (Failed)

44 - regressiontests/freeenergy (Failed)

45 - regressiontests/rotation (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/Makefile2:1392: recipe for target
'CMakeFiles/run-ctest-nophys.dir/all' failed

make[2]: *** [CMakeFiles/run-ctest-nophys.dir/all] Error 2

CMakeFiles/Makefile2:1172: recipe for target 'CMakeFiles/check.dir/rule'
failed

make[1]: *** [CMakeFiles/check.dir/rule] Error 2

Makefile:626: recipe for target 'check' failed
make: *** [check] Error 2

Not sure what could be wrong. Just to add I get some error/warning during
installation which says "MPI is not compatible with thread-MPI. Disabling
thread-MPI". I am using -DGMX_MPI=on and to have openMPI on ubuntu 18.04 I
used "sudo apt-get install openmpi-bin openmpi-common libopenmpi-dev"

Please let me know how I can fix this.

best regards,
D