[Wien] wien2k parallelization error

Soumen Bag soumenkrbag at gmail.com
Mon Aug 22 15:10:41 CEST 2016


Thanks for the suggestion
for me

granularity:1
1:tyrone-node3
1:tyrone-node3
1:tyrone-node3
1:tyrone-node3
1:tyrone-node3
1:tyrone-node3

this worked. this time i checked law1 and lapw2 run in parallel mode but
lapw0 was not. now my question what else should i add in the .machines file
to make it fine grain parallelization too?

Thanks


*Soumen Kumar Bag*
*Physical Science Dept.*
*IISC*


On Sun, Aug 14, 2016 at 2:15 AM, Laurence Marks <L-marks at northwestern.edu>
wrote:

> Remove the two lines
>
> residue:compute-0-0:1
> lapw1:compute-0-0:6
>
> And try again. This may not solve the problem.
>
> On Sat, Aug 13, 2016 at 3:07 PM, Soumen Bag <soumenkrbag at gmail.com> wrote:
> > Dear wien2k experts,
> >
> > I got following error while running "x lapw1 -p"
> >
> > starting parallel lapw1 at Sun Aug 14 01:26:54 IST 2016
> > ->  starting parallel LAPW1 jobs at Sun Aug 14 01:26:54 IST 2016
> > running LAPW1 in parallel mode (using .machines)
> > @: Expression Syntax.
> > 0.042u 0.838s 0:00.32 271.8%    0+0k 0+0io 0pf+0w
> > error: command   /home/soumen/INSTALL-PACKAGES/wien2k_14_2_mpi/lapw1para
> > lapw1.def   failed
> >
> > my .machines file is
> > granularity:1
> > 1:compute-0-0:6
> > residue:compute-0-0:1
> > lapw0:compute-0-0:6
> > lapw1:compute-0-0:6
> >
> >
> > Soumen Kumar Bag
> > Physical Science Dept.
> > IISC
> >
>
>
>
> --
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu ; Corrosion in 4D:
> MURI4D.numis.northwestern.edu
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> Co-Editor, Acta Cryst A
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