<div dir="ltr">I do that, but I received this error: How can I run this file??<div><br></div><div> No executable was specified on the mpirun command line.<br><br>Aborting.<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Nov 27, 2020 at 10:33 PM Husak Michal <<a href="mailto:Michal.Husak@vscht.cz">Michal.Husak@vscht.cz</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Correct sintax:<br>
mpirun -np 4 < <a href="http://scf.in" rel="noreferrer" target="_blank">scf.in</a> > scf.out<br>
Check documentatio. The filenames are not paramsters, but IO sources ..<br>
________________________________<br>
From: users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank">users-bounces@lists.quantum-espresso.org</a>> on behalf of M.Golmoammadi <<a href="mailto:mahsa.arad1393@gmail.com" target="_blank">mahsa.arad1393@gmail.com</a>><br>
Sent: Friday, November 27, 2020 7:50:58 PM<br>
To: <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
Subject: [QE-users] QE didn't generate output files in scf calculation<br>
<br>
Hi<br>
I am new to quantum espresso, and as the first step, I wanna calculate SCF file calculation and get output files.<br>
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??<br>
==========<br>
entered command:<br>
$ $ mpirun -np 2 pw.x <a href="http://Sample-1.pw.in" rel="noreferrer" target="_blank">Sample-1.pw.in</a><<a href="http://Sample-1.pw.in" rel="noreferrer" target="_blank">http://Sample-1.pw.in</a>> Sample-a.pw.out<br>
<br>
what appeared in terminal:<br>
Program PWSCF v.6.3 starts on 26Nov2020 at 10:12:45<br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<br>
URL <a href="http://www.quantum-espresso.org" rel="noreferrer" target="_blank">http://www.quantum-espresso.org</a><<a href="http://www.quantum-espresso.org/" rel="noreferrer" target="_blank">http://www.quantum-espresso.org/</a>>",<br>
in publications or presentations arising from this work. More details at<br>
<a href="http://www.quantum-espresso.org/quote" rel="noreferrer" target="_blank">http://www.quantum-espresso.org/quote</a><br>
<br>
Parallel version (MPI), running on 2 processors<br>
<br>
MPI processes distributed on 1 nodes<br>
R & G space division: proc/nbgrp/npool/nimage = 2<br>
Waiting for input...<br>
<br>
<br>
thanks ahead<br>
Mahsa Golmohammadi<br>
Amirkabir University of Technology<br>
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</blockquote></div>