Most cluster queueing systems have a way to limit such things. Which one
are you using?
You can also set the environment variable OMP_NUM_THREADS to tell SHELXD
to limit its CPU usage. You do this with either:
setenv OMP_NUM_THREADS 10
or
export OMP_NUM_THREADS=10
on the command line before running shelxd.
-James Holton
MAD Scientist
On 3/16/2022 5:21 PM, Jessica Bruhn 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
--
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 <http://www.nanoimagingservices.com/>
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