Hello, I'm working with a cluster with a total of 128 cores and I want to run a job(relax calculation) with pw.x using 64 cores.
I'm a bit baffled with the number of processors to set for PARA_IMAGE_PREFIX since it should be a product of number of processors in PARA_PREFIX and the number of images in PARA_IMAGE_POSTFIX. When i set -np of PARA_PREFIX to be 64 what should the ideal -np be for PARA_POSTFIX? 64x64 = 4096 the total cores are 128, so 4096 exceeds it. Any help or explanation on that is appreciated. Thank you. Regards, Elliot -- Elliot S. Menkah Research Student - Computational Chemistry/ Computational Material Science Theoretical and Computational Chemistry Dept. of Chemistry Kwame Nkrumah UNiversity of Sci. and Tech. Kumasi Ghana Tel: +233 243-055-717 Alt Email: elliotsmenkah at gmail.com elliotsmenkah at hotmail.com