Dear Prof. Lorenzo Paulatto Thanks a lot for your help. Yes it was a problem of wrong units and it is solved after using the correct units. Kind regards Dr. Tarek Hammad.
________________________________ From: users <[email protected]> on behalf of Lorenzo Paulatto <[email protected]> Sent: Saturday, August 28, 2021 7:09 PM To: QuanLorenzo Paulattoutum ESPRESSO users Forum <[email protected]> Cc: Quantum ESPRESSO users Forum <[email protected]> Subject: Re: [QE-users] MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1 1. you're using a lattice parameter which is about half that of diamond, probably wrong unit of measure ? 2. it wont't give any meaningful result without k-points 3. 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
