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 <mha...@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 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.