Re: [QE-users] Reconstruction problem in hp.x

Dear Iurii, I asked permission from my supervisor if I could share the input files. He suggested that I share it with only you and not all the users in the Forum. Is it possible to send the files to you only? Thanks, Vahid On Jan 11, 2022, at 4:47 AM, Iurii TIMROV via users

[QE-users] BURAI cannot mpirun pw.x

I have installed BURAI 1.3.2, and tried to run it using openmpi, as well as intel mpi (in that case, I used re-compiled QE .x files). The interface works well, and I am able to create the espresso.in job files without problem (I use Ubuntu 10.8). However, I cannot run them:

Re: [QE-users] Reconstruction problem in hp.x

Dear Vahid, Could you share all your input and output files via Google Drive? I will have a closer look at this problem. Greetings, Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss Federal Institute of Technology Lausanne (EPFL) CH-1015