PBE0 forYambo
Posted: Sun Sep 17, 2023 8:14 am
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
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