> Am 10.04.2018 um 13:37 schrieb Noam Bernstein <noam.bernst...@nrl.navy.mil>: > >> On Apr 10, 2018, at 4:20 AM, Reuti <re...@staff.uni-marburg.de> wrote: >> >>> >>> Am 10.04.2018 um 01:04 schrieb Noam Bernstein <noam.bernst...@nrl.navy.mil>: >>> >>>> On Apr 9, 2018, at 6:36 PM, George Bosilca <bosi...@icl.utk.edu> wrote: >>>> >>>> Noam, >>>> >>>> I have few questions for you. According to your original email you are >>>> using OMPI 3.0.1 (but the hang can also be reproduced with the 3.0.0). >>> >>> Correct. >>> >>>> Also according to your stacktrace I assume it is an x86_64, compiled with >>>> icc. >>> >>> x86_64, yes, but, gcc + ifort. I can test with gcc+gfortran if that’s >>> helpful. >> >> Was there any reason not to choose icc + ifort? > > For historical reasons, we only bought ifort, not the complete compiler > suite. But VASP is 99% fortran, so I doubt it makes a difference in this > case.
I see. Sure it's nothing which would change the behavior of VASP, but maybe the interplay with Open MPI compiled with gcc. I try in my compilations to stay with one vendor, being it GCC, PGI or Intel. Looks like icc/icpc is freely available now: https://software.intel.com/en-us/system-studio/choose-download#technical Choosing Linux + Linux as platform to develop and execute seems to be the full icc/icpc incl. the MKL (except the Fortran libs and scaLAPACK – but both are freely available in another package). Only point to take care of, is the location intel/system_studio_2018 where the usual compiler directories are located and not one level above. -- Reuti _______________________________________________ users mailing list users@lists.open-mpi.org https://lists.open-mpi.org/mailman/listinfo/users
