[Wien] Fine grained parallelization

[Zubaer Hossain]

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