PHASER and SHELXE can take advantage of multiple CPUs, as can most of the Molecular Replacement pipelines such as AMPLE and ARCIMBOLDO.
It does depend on whether all the CPUs have access to shared memory, though. If the program is parallellised with threads (such as SHELXE for example), exploiting multiple CPUS would require that all the CPUS have access to shared memory. Best wishes, Jens ________________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Harry Powell <0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> Sent: 23 November 2018 11:05:13 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] buying a cluster Hi For X-ray diffraction image processing, both XDS and DIALS can use multi cpus. For cryo-EM, Relion can run on multi-cpus, but can also make good use of GPUs, so don't forget this as an option if you're going over to the "dark side"... On 23 Nov 2018, at 10:30, V F wrote: > Dear all, > Which programs benefit from multi-cpu cluster? Since the physics > department is getting rid of a old 32 compute node cluster, I was > hoping to find some benefit using for crystallographic work. Looking a > ccp4wiki or google-fu did not help > Many thanks > Veronica > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
