[Wien] wien in parallel mode is slower than serial mode

[Laurence Marks]

Aaaah! If you are using a large GMAX (20 or more for instance) and
many LM's (to 10 for instance) with a low site symmetry then with
force set (FOR in case.in2) lapw2 may take longer because you are
asking it to calculate the Pulay corrections.

On Dec 21, 2007 3:38 PM,  <nilton at ufba.br> wrote:
> Dear L. Marks
> > Are you using a large GMAX, and have a large number of LM's and force
> > set? I noticed that your lapw0 seems to be slower than lapw1 which is
> > unusual
> Sorry, I am not sure if I get you point. As you can see below lapw0
> take less time than lapw1. And I am using large GMAX and large number
> of LM.
> Nilton
>
>
> >> running lapw0 in single mode
> >> 81.944u 0.645s 0:39.98 206.5%   0+0k 0+7952io 0pf+0w
> >> >   lapw1  -p   (15:30:36) starting parallel lapw1 at Fri Dec 21
> >> > 15:30:36 BRT 2007
> >> ->  starting parallel LAPW1 jobs at Fri Dec 21 15:30:36 BRT 2007
> >> running LAPW1 in parallel mode (using .machines)
> >> 4 number_of_parallel_jobs
> >>       localhost(6) 725.214u 2.050s 16:34.90 73.0%        0+0k
> >> 0+159168io 0pf+0w
> >>       localhost(6) 684.668u 2.080s 15:57.46 71.7%        0+0k
> >> 0+152816io 0pf+0w
> >>       localhost(6) 699.967u 2.097s 16:10.79 72.3%        0+0k
> >> 8+153688io 0pf+0w
> >>       localhost(6) 688.346u 1.890s 16:02.18 71.7%        0+0k
> >> 8+154800io 0pf+0w
> >>     Summary of lapw1para:
> >>     localhost     k=24    user=2798.2     wallclock=3885.33
> >> 2799.483u 9.766s 16:36.02 282.0%        0+0k 16+621200io 0pf+0w
> >> >   lapw2 -p    (15:47:12) running LAPW2 in parallel mode
> >>        localhost 1246.379u 41.656s 19:13.26 111.6% 0+0k 0+11392io 0pf+0w
> >>        localhost 952.876u 34.233s 16:58.17 96.9% 0+0k 0+11392io 0pf+0w
> >>        localhost 552.495u 19.128s 11:48.03 80.7% 0+0k 0+11392io 0pf+0w
> >>        localhost 781.333u 27.519s 15:09.69 88.9% 0+0k 0+11392io 0pf+0w
> >>     Summary of lapw2para:
> >>     localhost     user=3533.08    wallclock=3789.15
> >> 3533.914u 122.942s 19:15.69 316.4%      0+0k 8+58696io 0pf+0w
> >> >   lcore       (16:06:28) 0.119u 0.061s 0:00.24 70.8%  0+0k 0+4248io 0pf+0w
> >> >   mixer       (16:06:28) 1.053u 0.180s 0:00.98 125.5% 0+0k
> >> 0+14200io 0pf+0w
> >> :ENERGY convergence:  1 0.0001 .0000100000000000
> >> :CHARGE convergence:  0 0.0000 .0005089
> >> ec cc and fc_conv 1 1 1
> >>
> >> >   stop
> >>
> >>
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> >>
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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 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > Web: www.numis.northwestern.edu
> > Commission on Electron Diffraction of IUCR
> > www.numis.northwestern.edu/IUCR_CED
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
>
>
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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 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED