[QE-users] QE didn't generate output files in scf calculation

[M.Golmoammadi]

I do that, but I received this error: How can I run this file??

 No executable was specified on the mpirun command line.

Aborting.

On Fri, Nov 27, 2020 at 10:33 PM Husak Michal <Michal.Husak at vscht.cz> wrote:

> Correct sintax:
> mpirun -np 4 < scf.in > scf.out
> Check documentatio. The filenames are not paramsters, but IO sources ..
> ________________________________
> From: users <users-bounces at lists.quantum-espresso.org> on behalf of
> M.Golmoammadi <mahsa.arad1393 at gmail.com>
> Sent: Friday, November 27, 2020 7:50:58 PM
> To: users at lists.quantum-espresso.org
> Subject: [QE-users] QE didn't generate output files in scf calculation
>
> Hi
> I am new to quantum espresso, and as the first step, I wanna calculate SCF
> file calculation and get output files.
> I entered the following command in the terminal, but after passing up to 8
> hours I didn't have any output file. Can you help me to solve this problem??
> ==========
> entered command:
> $ $ mpirun -np 2 pw.x Sample-1.pw.in<http://Sample-1.pw.in>
> Sample-a.pw.out
>
> what appeared in terminal:
> Program PWSCF v.6.3 starts on 26Nov2020 at 10:12:45
>
>      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);
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
>           URL http://www.quantum-espresso.org<
> 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     2 processors
>
>      MPI processes distributed on     1 nodes
>      R & G space division:  proc/nbgrp/npool/nimage =       2
>      Waiting for input...
>
>
> thanks ahead
> Mahsa Golmohammadi
> Amirkabir University of Technology
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