[QE-users] Phonon calculation does not converge

2024-01-22 Thread Chirantan Pramanik
Hello All, I was running Phonon for a few systems of carbonate minerals for a long time. Recently I used SSSP pseudopotential for PBE and faced a problem like the one pasted below. Optimization and SCF calculations are properly done. But phonon calculation is not converging. Please help. I

Re: [QE-users] GPU and CPU jobs

2024-01-22 Thread Paolo Giannozzi
On 22/01/2024 14:15, 526587466--- via users wrote: How to run one GPU and another CPU job (QE7.3 version) in one node?  It seems that it sometimes cannot work in one node synchronously. I don't understand what you mean. If you want to run on GPU's (Nvidia for now), you have to compile the

[QE-users] [SPAM] GPU and CPU jobs

2024-01-22 Thread 526587466--- via users
Dear Developers, How to run one GPU and another CPU job (QE7.3 version) in one node? It seems that it sometimes cannot work in one node synchronously. Thanks so much. Roc HTU ___ The Quantum ESPRESSO community stands by the Ukrainian people and