[gmx-users] 5.0.4 Compilation - SelectionUnitTests Failed

[Johnny Lu]

Hmm. Did you try gcc?
>From the mail list, I heard that if the gnu c/c++ compiler is new enough,
it builds faster gromacs than intel c/c++ compiler and mkl.
I'm not sure about 5.0.4 though, and I am using 4.6.7 right now.

On Tue, Dec 16, 2014 at 10:09 AM, Mike Hanby <mhanby at uab.edu> wrote:
>
> Howdy,
>
> I'm attempting to build Gromacs 5.0.4 using Intel compilers 13.1.1 for one
> of the users of our HPC fabric and it errors when running test 13 during
> the "make check"
>
> [----------] Global test environment tear-down
> [==========] 139 tests from 8 test cases ran. (462 ms total)
> [  PASSED  ] 138 tests.
> [  FAILED  ] 1 test, listed below:
> [  FAILED  ] SelectionCollectionDataTest.HandlesCharge
>
>  1 FAILED TEST
> ....
>
> Total Test time (real) = 148.29 sec
>
> The following tests FAILED:
>          13 - SelectionUnitTests (Failed)
> Errors while running CTest
> make[3]: *** [CMakeFiles/run-ctest] Error 8
> make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
> make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> make: *** [check] Error 2
>
> I've attached the cmake, make and make check logs.
>
> Any suggestions on what I can do to debug / fix this issue, or is it
> benign and I can safely move on to installing?
>
> Thanks, Mike
> --
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