Hi
Thank you for your advice. I do not thing my environment is wrong - I was able to compile similar code (CASTEP) with same environment .... in both MPI, and OpenMP version and it is 100% functional with all test passed ... I am able to build serial and OpenMP version of QE and they pass my tests, only OpenMPI version fails ... The OpenMPI fails when built from 2 totally different environments in identical way = sound like no issue in my environment. It look like current Qunatum-Espresso testsuite can not be launched, it generate following error: USER@USER-PC /cygdrive/m/My_project/fortran/qe/qe-7.0/test-suite $ make run-tests Download of O.pz-rrkjus.UPF FAILED, do it manually -- Testing aborted! make: *** [Makefile:35: pseudo] Error 255 Sound like the server with pseudopotential is down (I am fully connected - no block). Any more advice is strongly appreciated ... Michal Husak ________________________________ From: users <[email protected]> on behalf of Husak Michal <[email protected]> Sent: Thursday, February 3, 2022 10:26 PM To: Quantum ESPRESSO users Forum Subject: [QE-users] Tracing MPI buidl of QE 7.0 malfuction (gfortranm OpenMPI). 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<http://www.max-centre.eu>) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
