Hi all, Thank you for the excellent advice. I think I have found what I am looking for.
To James, I am currently not using a queuing system and I am just launching jobs directly on a shared GPU machine. Soon I will move to a PBS cluster, which should help with all of this. Thanks again! Cheers, Jessica On Wed, Mar 16, 2022 at 10:26 PM Tim Gruene <tim.gru...@univie.ac.at> wrote: > Hi Jessica, > > like most shelx programs, there is a little help message when started > without command line options. The option > > '-tN' sets the number of CPUs to N. If I remember correctly, SHELXD > also respects the environment variable OMP_NUM_THREADS. > > Best, > Tim > > On Wed, 16 Mar 2022 17:21:38 -0700 Jessica Bruhn > <0000450e5de75376-dmarc-requ...@jiscmail.ac.uk> wrote: > > > Hi all, > > > > I am wondering if there is a way to limit the number of CPUs that can > > be used by SHELXD. It seems that this program uses all that are > > available until it hits the NTRY you specified or it finds a .fin > > file. Is there a way to limit its CPU and MEM usage? I am running > > this on a large cluster along with other jobs and don't want to get > > myself into trouble. > > > > Thanks so much! > > > > Best, > > Jessica > > > > > > -- > -- > Tim Gruene > Head of the Centre for X-ray Structure Analysis > Faculty of Chemistry > University of Vienna > > Phone: +43-1-4277-70202 > > GPG Key ID = A46BEE1A > -- Jessica Bruhn, Ph.D Scientific Group Leader, MicroED NanoImaging Services, Inc. 4940 Carroll Canyon Road, Suite 115 San Diego, CA 92121 Phone #: (888) 675-8261 www.nanoimagingservices.com ######################################################################## 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/
