[Wien] Fine grained parallelization

[Zubaer Hossain]

The problem is solved. Pls disregard my previous email.
Thanks,
Zubaer

On Thu, Jan 22, 2009 at 10:28 AM, Zubaer Hossain <zubaexy at gmail.com> wrote:
> Hi,
>
> I installed parallel WIEN2k on Intel-64 Linux Cluster, and ran few
> cases successfully using the script file given in faq section which
> runs lapw0 using MPI, and lapw1/2 using k-point parallelization. Since
> I have more processors available than k-points, I wanted to run lapw1
> and lapw2 as well using MPI, instead of k-point parallelization.
>
> I used the following section for lapw1/2:
> ------------------------------------------------------------
> echo -n '1:' >>.machines
> set i=1
> while ($i <= $aa[1] )
> echo -n `cat $PBS_NODEFILE |head -$i | tail -1` ' ' >>.machines
> @ i ++
> end
> echo  `cat $PBS_NODEFILE |head -$i|tail -1` ' ' >>.machines
> ----------------------------------------------------------------
>
>
> The .machine file contains:
> ---------------------------------------------------------------
> #
> lapw0:abe0596  abe0596  abe0596  abe0596  abe0596  abe0596  abe0596  abe0596
> 1:abe0596  abe0596  abe0596  abe0596  abe0596  abe0596  abe0596
> abe0596  abe0596
> --------------------------------------------------------------
>
>
>
>
> In the output *.dayfile I see:
> -----------------------------------------------------------------
>    start       (Thu Jan 22 10:21:56 CST 2009) with lapw0 (40/99 to go)
>
>    cycle 1     (Thu Jan 22 10:21:56 CST 2009)  (40/99 to go)
>
>>   lapw0 -p    (10:21:56) starting parallel lapw0 at Thu Jan 22 10:21:56 CST 2009
> -------- .machine0 : 8 processors
> abe0564 abe0564 abe0564 abe0564 abe0564 abe0564 abe0564 abe0564
> 0.126u 0.133s 1:19.08 0.3%      0+0k 0+0io 39pf+0w
>>   lapw1  -c -p        (10:23:15) starting parallel lapw1 at Thu Jan 22 10:23:15 CST 2009
> ->  starting parallel LAPW1 jobs at Thu Jan 22 10:23:15 CST 2009
> running LAPW1 in parallel mode (using .machines)
> 1 number_of_parallel_jobs
> [1] 11069
>
> -----------------------------------------------------------------
>
>
> So, all the 4 kpoints are assigned to 1 processor instead of 8 ? I
> read UG 5.5, but couldn't figure out what to do.
>
> Would you please suggest where I am making mistakes?
>
> Thanks,
> Zubaer
>