you're using a lattice parameter which is about half that of diamond, probably wrong unit of measure ?
it wont't give any meaningful result without k-points apart from that, increasing the cutoff and/or not using many CPUs to run a tiny little system that can run on my phone should solve the issue regards -- Lorenzo Paulatto - Paris On Aug 28 2021, at 7:30 pm, Microsoft.com team <[email protected]> wrote: > > Dear QE team and users > I am using QE version 6.7.0 compiled with gfortran in parallel. My operating > system is ubuntu 20.04.3 LTS - 64-bit. > To test ElaStic code I have constructed the structure file called > "c.elastic.in" attached to this mail. > Therefore, I generated a number of distorted structures like for instance > "Dst01_01.in" and I applied the command > > "mpirun -np 2 /home/tarek/software/q-e-qe-6.7.0/bin/pw.x <Dst01_01.in> > Dst01_01.out" > However, I have got this message as read from terminal: > ---------------------------------------------------------------------------------------------------------------------------------------------------------------- > > MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD > with errorcode 1. > > NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. > You may or may not see output from other processes, depending on > exactly when Open MPI kills them. > -------------------------------------------------------------------------- > [tarek-Latitude-E6430:56552] PMIX ERROR: UNREACHABLE in file > ../../../src/server/pmix_server.c at line 2193 > [tarek-Latitude-E6430:56552] 1 more process has sent help message > help-mpi-api.txt / mpi-abort > [tarek-Latitude-E6430:56552] Set MCA parameter "orte_base_help_aggregate" to > 0 to see all help / error messages > > ------------------------------------------------------------------------------------------------------------------------------------------------------------------ > The output and CRASH files are attached with this mail. > > Thanks a lot for your great efforts. > Tarek Hammad. > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (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
