[QE-users] [QE-GPU] Significant Slowdown in GPU Phonon Calculation Preparation

ormance in QE phonon calculations? Thank you in advance for your help! Best regards, PhD student in Forschungszentrum Jülich Yin-Ying Ting -- Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Theory and Computation of Energy Materials (IEK-13) E-mail: y.t...@fz-juelich

[QE-users] Hubbard U Parameters in pmw.x

can provide. Thank you for your time and assistance. Best regards, PhD student in Forschungszentrum Jülich Yin-Ying Ting -- Forschungszentrum Jülich GmbH Institute of Energy and Climate Research Theory and Computation of Energy Materials (IEK-13) E-mail: y.t...@fz-juelich.de

Re: [QE-users] [QE-GPU] High GPU oversubscription detected

gards, Yin-Ying Ting On 29.11.23 15:53, Paolo Giannozzi wrote: On 11/27/23 11:32, Yin-Ying Ting wrote: Based on the *environment.f90* file, this message is triggered when /nproc > ndev * nnode * 2/. If I understand correctly, I have nproc (Number of parallel processe)=4, ndev(Number of GPU D

[QE-users] [QE-GPU] High GPU oversubscription detected

message still appears. All 4 GPUs were active during the run. Could you please help me understand why this message is appearing under these conditions? Any insights or suggestions to address this would be greatly appreciated. Thank you in advance for your help! PhD student in Forschungszentrum