Dear QE developers and users, I have asked the authorities to install QE 5.4.0 on university cluster (operating system: CentOS) and now, after installation, something is wrong with the parallel executions. I perform pwscf run and in its output file, every step is repeated equal to the number of cpu cores (N). It is similar to performing N serial runs altogether, each on a single core (please see attached output file). I had this problem on my personal cluster (operating system: Ubuntu 16.04 LTS) with QE 5.4.0 and QE 6.0 (not with QE 5.1 that I installed using sudo apt-get install ... ). I am really confused right now, since I have no idea whether it is related to QE or mpich2. Can you please recommend me on how to solve this issue? Is there any specific setting in ./configure step?
Thanks for your kind response in advance. Bests, Afshin -- With Best Regards Afshin Arjhangemehr PhD student in Radiation Application Shahid Beheshti University G.C, Tehran, IRAN (+98) 912 439 20 64
in00_ti1.cpu.gb.out
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