Dear developers,
I am running scf and nscf under PBE0 functional, and converge nqx in scf, but it stopped always in the process of nscf with the signal as:
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 34 PID 26459 RUNNING AT node01
= KILLED BY SIGNAL: 9 (Killed)
The memory of my node is 512G and I think this signal is still about the restricted memory.
Is there any other way to solve the problem of the hybrid functional for the GW calculations? (The k-point grid I used is 12x12x1, and converged nqx is 6x6x1)
Best
Shudong
PBE0 forYambo
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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sdwang
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Daniele Varsano
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Re: PBE0 forYambo
Dear Shudong,
this seems a question to be asked in the QE mailing list.
Best,
Daniele
this seems a question to be asked in the QE mailing list.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/