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
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
