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<p>Hello,</p>
<p>if I understand correctly, you used the dash character «—»
instead of minus sign «-» in many places all over the file.<br>
</p>
<div class="moz-cite-prefix">On 15/07/2024 08:05, Suraj P wrote:<br>
</div>
<blockquote type="cite"
cite="mid:658935827.2695548.1721023505157.JavaMail.zimbra@iitkgp.ac.in">
<pre class="moz-quote-pre" wrap="">Dear QE users,
Im trying to do a relaxation calculation of a Copper unit cell doped with Nickel. 75 % of the atoms are doped with Nickel and the remaining atoms are Copper.
During the vc-relax calculation, Im getting an error message as follows, and the calculation gets automatically terminated:
______________________________________________________________________________________________
forrtl: severe (24): end-of-file during read, unit -5, file Internal List-Directed Read
Image PC Routine Line Source
pw.x 0000000000FE39AB Unknown Unknown Unknown
pw.x 00000000010143B2 Unknown Unknown Unknown
pw.x 0000000001013138 Unknown Unknown Unknown
pw.x 0000000000A03FCC read_cards_module 135 read_cards.f90
pw.x 00000000009230B6 read_input_mp_rea 67 read_input.f90
pw.x 000000000040BF62 MAIN__ 84 pwscf.f90
pw.x 000000000040BDD2 Unknown Unknown Unknown
libc-2.17.so 00007F893BB0A555 __libc_start_main Unknown Unknown
pw.x 000000000040BCE9 Unknown Unknown Unknown
______________________________________________________________________________
I have attached the input and output files herewith. Kindly help me in troubleshooting this issue.
Im using quantum_espresso-6.8 and openmpi-5.0.3 compiler.
Thanks regards
Suraj
Research student,IIT kharagpur</pre>
<br>
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</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
<a href="http://www.impmc.upmc.fr/~paulatto/"
class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
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