Hello Kevin-- > > I'm seeking some advice on how I can speed up a structure > calculation using the fold.py script. Currently, I am running > xplor-nih version 3.9 on a macbook pro with M1 pro chipset. By > default, xplor utilizes a single core (and when I check CPU usage, a > single thread) to complete a structure calculation. Calculating 400 > structures is taking over 48 hours which seems a bid ridiculous.
Please try running your script as: xplor -smp N script.py where N is the number of cores you want to run on. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
