GROMACS version: 2020.2
GROMACS modification: No
Dear all,
I was trying to install GROMACS 2020.2 on a cluster with MPI enabled and one of the regression tests failed during the execution of the command make check, as shown below. It looks like GROMACS was not able to read a certain file, but I’m not entirely sure what happened. Could anyone please give me some suggestions about dealing with this issue? Thanks a lot in advance!
Best,
Wei-Tse
56/56 Test #56: regressiontests/essentialdynamics …Failed 3.02 sec
perl: warning: Setting locale failed.
perl: warning: Please check that your locale settings:
LANGUAGE = (unset),
LC_ALL = (unset),
LANG = “C.UTF-8”
are supported and installed on your system.
perl: warning: Falling back to the standard locale (“C”).
Will test on 8 MPI ranks (if possible)
Will test using executable suffix _mpi
Use of uninitialized value in addition (+) at /home/wehs7661/src/gromacs-2020.2/build/tests/regressiontests-2020.2/gmxtest.pl line 1890.
FAILED: Can not read sam.edi at /home/wehs7661/src/gromacs-2020.2/build/tests/regressiontests-2020.2/gmxtest.pl line 1413.
Abnormal return value for ‘echo 0 | gmx_mpi make_edi -f eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err’ was 1
98% tests passed, 1 tests failed out of 56
Label Time Summary:
GTest = 151.07 secproc (52 tests)
IntegrationTest = 34.09 secproc (9 tests)
MpiTest = 59.54 secproc (8 tests)
SlowTest = 48.98 secproc (2 tests)
UnitTest = 68.00 secproc (41 tests)
Total Test time (real) = 1098.47 sec
The following tests FAILED:
56 - regressiontests/essentialdynamics (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest-nophys] Error 8
make[2]: *** [CMakeFiles/run-ctest-nophys.dir/all] Error 2
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
make: *** [check] Error 2