build QE without MPI without OpenMP, run test-suite. To check if your compiler and library works. build QE with MPI without OpenMP, run test-suite. To check if your MPI library works properly. build QE without MPI but with OpenMP, run test-suite. To check if OpenMP is the issue. build QE with MPI and with OpenMP, run test-suite. To check if OpenMP+MPI works. If any of the above case shows massive failure, you'd better check the software environment. I think this is likely the case. If all the above cases pass, but your own tests fail. Provide a full reproducer (how you build the code, all the input/output/log of run) Ye =================== Ye Luo, Ph.D. Computational Science Division & Leadership Computing Facility Argonne National Laboratory
On Thu, Feb 3, 2022 at 3:27 PM Husak Michal <[email protected]> wrote: > Hi > > I am trying to find why the MPI build (gfortan + OpenMP) does not work for > QE 6.6-7.0 > The code stops in the routine > good_fft_order (in fft_support.f90) > on following statement > IF (np <= 0 .OR. np > nr) & .... > > This is called from > realspace_grid_init (in fft_types.f90) ... > > Following command generate nonsense input generating code stop (np=2,nr=1) > dfft%nr1 = good_fft_order( dfft%nr1, fft_fact(1) > > I am not an Fortran expert not familiar with the QE architecture so > tracing this issue more deeply is > behind my knowledge .... > > Any advice I can try ? > Run some test, debug mode ? > > Michal Husak > UCT Prague ... > > > > > > > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users >
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