Re: [QE-users] Memory issues using pw.x

2023-01-20 Thread Joe Page
atible with the available resources you asked the resource/queue manager? HTH Giuseppe Quoting Joe Page : > Hi, > > I am sending this message as I am running into some issues when > trying to perform a pw.x calculation. > > I am using a hybrid approach, with the flag input_dft

[QE-users] Memory issues using pw.x

2023-01-19 Thread Joe Page
Hi, I am sending this message as I am running into some issues when trying to perform a pw.x calculation. I am using a hybrid approach, with the flag input_dft = b3lpyv1r. The first SCF calculation can be performed, however when it comes to introducing the hybrid correction the program stops