AMBER Archive (2000)

Subject: run sander on shared memory sgi

From: Shixiang Yan (sy8_at_SCIRES.ACF.NYU.EDU)
Date: Thu Dec 07 2000 - 13:48:41 CST

i tried to run shared memory sander on sgi mechine with 8 processors, i
would like to use 4 processors for the job. i did like

setenv MP_SET_NUMTHREADS 4

and then run the sander. but for some reason, sometimes, i can only get 1
cpu
or 2 cpus for the job, which i can check with the output file. the machine
is kind of loaded. i am wondering if there is any way i can force the
machine to give me the cpus i want. thanks very much for any
suggestions... frank