[Wien] k-parallel execution

Vladimir Timochevski Vladimir.Timochevski at umontreal.ca
Tue Nov 25 21:42:29 CET 2003


Dear Giovanni,

Of course, it is possible to do k-point parallelization on a
multiprocessor machine.
If you have 8 processors, just put 8 times the same line "1:localhost"
in your .machines file (but not "1:localhost:8" !!). Then start run_lapw
script with "-p" option. You will have eight lapw1 jobs started on your
machine.
(no MPI is used, you will have ordinary sequential versions running !!)

Regards,
Vladimir. 

Bertoni Giovanni wrote:
> 
> Dear users,
> 
> I have a question about k-parallelization:
> 
> is it possible to do a k-parallelization on a single machine with
> multiple processors?
> for exemple, I try on a machine with >= 8 processors.
> I have tried with the TiC example (47 k-points) in interactive mode (no
> scripts or batch files...)
> 
> this is the .machine file
> -----------------------------------------------
> # .machines is the control file for parallel execution. Add lines like
> #
> #   speed:machine_name
> #
> # for each machine specifying there relative speed. For mpi
> parallelization use
> #
> #   speed:machine_name:1 machine_name:1
> #   lapw0:machine_name:1 machine_name:1
> #
> # further options are:
> #
> #   granularity:number (for loadbalancing on irregularly used machines)
> #   residue:machine_name  (on shared memory machines)
> #   extrafine         (to distribute the remaining k-points one after
> the other)
> #
> # granularity sets the number of files that will be approximately
> # be generated by each processor; this is used for load-balancing.
> # On very homogeneous systems set number to 1
> # if after distributing the k-points to the various machines residual
> # k-points are left, they will be distributed to the
> residual-machine_name.
> #
> 1:localhost:8
> lapw0:localhost:8
> --------------------------------------------------
> 
> ...very simple. and this is the TiC.dayfile
> 
> --------------------------------------------------
> ....
>     start       (Tue Nov 25 18:04:11 MET 2003) with lapw0 (20/20 to go)
> >   lapw0 -p    (18:04:11) starting parallel lapw0 at Tue Nov 25 18:04:12 MET 2003
> -------- .machine1 : 8 processors
> localhost:8
> --------
> **  lapw0 crashed!
> 0.0u 0.3s 0:01 24% 0+0k 10+3io 0pf+0w
> 
> >   stop error
> ---------------------------------------------------
> 
> if i don't use parallel lapw0, I have the crash in lapw1. the test was
> done on a machine that has the mpirun.
> please tell me.
> if is not possible to do a k-parallelization on a single machine, I will
> use a fine grained parallelization, and I will have another question for
> you... (next time)
> Thank you.
> giovanni.
> _______________________________________________
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> Wien at zeus.theochem.tuwien.ac.at
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-- 

---------------------------------------------
Vladimir Timoshevskii
Departement de Physique, Universite de Montreal
C.P.6128, succ. Centre-Ville, 
MontrИal (QuИbec) Canada, H3C 3J7 
Tel.: +1 (514) 343 611 - 4226
email: Vladimir.Timochevski at umontreal.ca
---------------------------------------------



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