[Wien] wien2k, gotoblas and multi threads

Todd Pfaff pfaff at rhpcs.mcmaster.ca
Thu Aug 7 16:21:06 CEST 2008


We're using:

   wien2k-08.2-20080407

built with:

   GNU Fortran (GCC) 4.2.3 (4.2.3-6mnb1)
   GotoBLAS-1.26

and running on an 8 core (2 x quad core) Xeon machine.

Can wien2k take advantage of multithreading inherent to GotoBLAS
when either GOTO_NUM_THREADS or OMP_NUM_THREADS is set?

If so, can someone provide, or direct me to a document about details of
the best way to build and run wien2k for such an environment?

Thank you,
--
Todd Pfaff <pfaff at mcmaster.ca>
Research & High-Performance Computing Support
McMaster University, Hamilton, Ontario, Canada
http://www.rhpcs.mcmaster.ca/~pfaff


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