je veux tracer le dos de mon matériaux anti-perovskite Mn3ZnN ,pour cela j'ai fait les commandes suivant :
pw.x -in | tee 1layer.scf.out
pw.x -in | tee 1layer.nscf.out
tout est marché bien mais quand j'ais lancer la commande ( dos.x < )pour calculer le dos sur le terminale il m'affiche :
Error in routine pw_readfile (1):
error opening xml data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%

stopping ...
MPI_ABORT was invoked on rank 0 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.