From: Otsile Mojanaga Sent: Monday, May 13, 2024 3:29 PM To: Paul Emsley <pems...@mrc-lmb.cam.ac.uk> Subject: RE: [ccp4bb] Request for help in optimizing Coot for AMD 5950x CPU and RX6600XT GPU hardware PC
Dear Paul/All Thank you for the response. I am on Windows 11 and I tried looking around Coot to see where I could input the commands you have suggested but I cannot find anything . I also cannot seem to type the commands into the 'Command prompt' that opens alongside Coot. I also tried inputting the commands in the 'Coot Python scripting' within Coot but this did not work. Please advise on when you can input these commands. Kind regards, Otsile From: Paul Emsley <pems...@mrc-lmb.cam.ac.uk<mailto:pems...@mrc-lmb.cam.ac.uk>> Sent: Monday, May 13, 2024 1:48 PM To: Otsile Mojanaga <oo...@bath.ac.uk<mailto:oo...@bath.ac.uk>>; CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] Request for help in optimizing Coot for AMD 5950x CPU and RX6600XT GPU hardware PC You don't often get email from pems...@mrc-lmb.cam.ac.uk<mailto:pems...@mrc-lmb.cam.ac.uk>. Learn why this is important<https://aka.ms/LearnAboutSenderIdentification> CAUTION: This email came from outside of the University. To keep your account safe, only click on links and open attachments if you know the person who sent the email, or you expected to receive this communication. On 13/05/2024 13:03, Otsile Mojanaga wrote: Dear All I have been using coot as part of my normal workflow but since last week I have been having issues with Coot after I built my own PC which contains the following Hardware: CPU - AMD Ryzen 9 5950X 16-Core Processor - 16 Cores, 32 Threads RAM - 64 GB GPU - AMD Radeon RX 6600 XT - Primary/Discrete GPU VRAM - 8176 MB - GDDR6 2000 MHz Despite the improvement in hardware, Coot is now having issues refining molecules when using the 'real space refine' tool and other related tools. When trying to refine, the program becomes stuttering and slow such that it becomes unfeasible to use the program in a reasonable amount of time. My current work around is to run Coot through CCP4 cloud but this greatly slows down my workflow. >From what I can see Coot is not be optimised for the AMD CPU. You don't mention the operating system. Maybe you have too many threads for Coot? Try setting the COOT_N_THREADS to various values (starting, say, with 2) and see what happens. But maybe it's a graphics (driver) issue and not a CPU/threads issue. glxgears is the classic test for that. Paul. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
