NWchem with Gotoblas2 but poor performance
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11:04:43 AM PDT - Tue, Oct 8th 2013
Quote:Edoapra
Oct 8th 4:48 pm
Have you set the env. variables
OMP_NUM_THREADS
and
GOTO_NUM_THREADS
to 1?
http://www.tacc.utexas.edu/tacc-projects/gotoblas2/faq
Edo, I didn't do anything about this 2 env variables. Do they need to be set in the submit script, in compiling step, or in .bash_profile? Also, the no. of thread to be set needs to be the same as the no. of cores used to run a job, right?
Thank you,
Tee