[QE-users] Sloution
Eloge MADILA
elogemadila17 at gmail.com
Sun Jul 8 12:14:44 CEST 2018
I NEED A HELP FOR THIS SITUATION PLEASE:
Program PWSCF v.5.1 starts on 8Jul2018 at 10:38:36
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details
at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 1 processors
Reading input from Cu.in
Message from routine read_cards :
DEPRECATED: no units specified in ATOMIC_POSITIONS card
Message from routine read_cards :
ATOMIC_POSITIONS: units set to alat
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine trimcheck (1):
input name empty
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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.
--------------------------------------------------------------------------
*Erman Eloge NZABA MADILA,*
*PhD student in Physics*
*Université d'Abomey-Calavi (UAC)*
*Institut de Mathématiques et de Sciences Physiques (IMSP)*
*Joint Research group Laboratory of Materials Design by Synthesis,Technical
University of Darmstadt (TU Darmstadt)*
*(Germany)*
*e-mail: elogemadila17 at gmail.com <elogemadila17 at gmail.com>/ *
* eloge.madila at md.tu-darmstadt.de
<eloge.madila at md.tu-darmstadt.de>*
*Tel.:+4915217738442*
ᐧ
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180708/186f329a/attachment.html>
More information about the users
mailing list