[QE-users] Why I can't compute the optical properties of my supercell?

[Paolo Giannozzi]

On 9/12/23 17:09, NAIMI SALMA wrote:

> 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?

maybe, or maybe not. You may want to follow the advice on how to reduce 
memory usage, in the user guide. Selecting "disk_io='high'" might work, 
at the expenses of increased disk access, unfortunately

Paolo

> Kind regards,
> ------------------------------------------------------------------------
> *From:* Paolo Giannozzi <paolo.giannozzi at uniud.it>
> *Sent:* Tuesday, September 12, 2023 4:02 PM
> *To:* Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>; 
> NAIMI SALMA <salma_naimi at um5.ac.ma>
> *Subject:* Re: [QE-users] Why I can't compute the optical properties of 
> my supercell?
> "Exactly", hard to tell, but I would have a look at the estimated memory
> for your run: do you have that much memory available?
> 
> Paolo
> 
> On 9/12/23 16:25, NAIMI SALMA wrote:
>> Dear experts,
>> 
>> I'm trying to simulate the optical properties of a supercell, but after 
>> some time from running the calculation, the simulation stops suddenly.
>> 
>>   I attached my input and output in a zip file. Could you please help me 
>> figure out what's the problem exactly?
>> 
>> Kind regards,
> 
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222