Dear Gabriele, The message for stopping is: %%%%%%%%%%% from checkallsym : error # 1 some of the original symmetry operations not satisfied %%%%%%%%%%%%%%% stopping..... ------------ MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 0. 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. ------------------------- Bests, m.
Dear Gabriele, Thank you very much for your reply. >Do you mean "Warning: symmetry operation #N not >allowed"? This is not an error, but simply a warning, Yes, it is. >I doubt that this would cause the program to stop. But it stops a process in the mpi running. > All. How can I constrain the system just ignore symmetry operations wrt the xoy plane (because the z coordinates change)? Bests, m. ------------------------------------------------------------------------------ _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101124/bdb65e5a/attachment-0001.htm
