Execution Time2.12s

Test: UNRES_CHECKGRAD1_homology (Failed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2024-04-29 04:25:10
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a

Exit Value1

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Test output
CTEST_FULL_OUTPUT
/tmp/cdash/homology/build/source/unres/src_MD/test_prota_E0LL2Y.sh: 24: /tmp/cdash/homology/build/source/unres/src_MD/test_prota_E0LL2Y.sh: /tmp/cdash/homology/build/bin/unresMD_pgf90_MPI_E0LL2Y_DFA.exe: not found
gawk: checkgrad.awk:4: fatal: cannot open file `Ts866_checkgrad_full.out_GB000' for reading (No such file or directory)
gawk: checkgrad.awk:4: fatal: cannot open file `Ts866_checkgrad_full.out_GB000' for reading (No such file or directory)
grep: Ts866_checkgrad_full.out_GB000: No such file or directory
grep: Ts866_checkgrad_full.out_GB000: No such file or directory
ETOT=   reference=  3127.901
difference  3127.901 from reference etot 3127.901 greater than 0.01
H_CONS=   reference=  1872.981
difference  1872.981 from reference etot 1872.981 greater than 0.01
(standard_in) 1: syntax error
./prota_unres_energy_check.sh: line 242: [: !=: unary operator expected
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:

  Process name: [[46651,1],0]
  Exit code:    1
--------------------------------------------------------------------------