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Dear Paolo,</div>
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<br>
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If you mean "Estimated total dynamical RAM > 1072.11 GB" , unfortunately I don't have that. Is it necessary to have that much RAM for my calculation to be done?</div>
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Kind regards,<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Paolo Giannozzi <paolo.giannozzi@uniud.it><br>
<b>Sent:</b> Tuesday, September 12, 2023 4:02 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org>; NAIMI SALMA <salma_naimi@um5.ac.ma><br>
<b>Subject:</b> Re: [QE-users] Why I can't compute the optical properties of my supercell?</font>
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<div class="PlainText">"Exactly", hard to tell, but I would have a look at the estimated memory
<br>
for your run: do you have that much memory available?<br>
<br>
Paolo<br>
<br>
On 9/12/23 16:25, NAIMI SALMA wrote:<br>
> Dear experts,<br>
> <br>
> I'm trying to simulate the optical properties of a supercell, but after <br>
> some time from running the calculation, the simulation stops suddenly.<br>
> <br>
> I attached my input and output in a zip file. Could you please help me <br>
> figure out what's the problem exactly?<br>
> <br>
> Kind regards,<br>
<br>
-- <br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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