[Wien] Parallelize Spin Up and Down (again)
L. D. Marks
L-marks at northwestern.edu
Fri Nov 25 23:48:13 CET 2005
I briefly looked into this today, and I don't think it's quite as simple
as Peter (Sept 19th) suggested. One could get a turnaround improvement of
2 for cases where one had, say, 4 k-points and 8 nodes available. Perhaps
an added option -updn exploiting .machinesup & .machinesdn (rather than
just .machines) to dispact the lapw1 (perhaps lapw2) off to the different
nodes. Somewhat more of a rewrite of lapw1(2)para.
Note: if you have an old email address for me, please note that "nwu" has
been changed to "northwestern".
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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