[QE-users] Request to continue the job of phonon_dyn2
Paolo Giannozzi
paolo.giannozzi at uniud.it
Mon Aug 24 20:00:33 CEST 2026
Unfortunately it is close to impossible to restart from a hard crash
(one that was not scheduled but just happened) because the files needed
to restart may be corrupted.
From your message it appears that your code is trying to read the
pseudopotential files from each processor. This is not how recent and
not-so-recent versions of QE work: only one processor reads the
pseudopotential data, broadcasts them to all other processors.
Paolo
On 8/19/2026 8:10 AM, Sagar Dahal wrote:
>
> Dear sir/mam
> Warm Greetings
>
> I am working on CeIrP3 which is a magnetic system. After running for 14
> days using QE-DFT, the wall time of 336 hrs ended and my job stopped. I
> wanted to continue the job, but using the same .tmp folder without using
> any other files, when I started running it said that the pseudopotential
> of P is not found.
>
> The message is like this, " %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% task # 83 from
> readpp : error # 1 file ./pseudo/P.pbe-n-
> rrkjus_psl.1.0.0.UPF not found %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> ~
> "
> As in my input file , I had kept recover = .true., this had helped to
> continue the job for 1-2 min from 30 representations in phonon
> calculation of dyn2 of CeIrP3. As mentioned above errors raised when
> given a phonon job, again.
>
> Would you please suggest what should be the track for not losing a 14
> days task? What will be my next step?
>
> Sagar Dahal, PhD research scholar, Tribhuvan University, Nepal
>
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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