Re: [QE-users] Can not perform multiple optimization calculations

2023-03-22 Thread Paolo Giannozzi
On 22/03/2023 14:50, Chirantan Pramanik wrote: The problem is when I run multiple optimization jobs for pw.x only one of them completes and others stop in between at random places without finishing. you can run as many pw.x jobs as you want, but you need to set a different "outdir" for

[QE-users] Can not perform multiple optimization calculations

2023-03-22 Thread Chirantan Pramanik
Hi All, I am using QE for 1.5 years and calculating phonon frequencies for isotopic molecules. I am using a server in my Institute and I am running jobs in parallel with mpi enabled through qsub using PBS job scripts. The problem is when I run multiple optimization jobs for pw.x only one of