[Wien] MPI setup on a multicore maschine

[Peter Blaha]

Wrong syntax. You need a "speed" parameter. But of course, the speed should be
the same for shared memory:

1:localhost:4
1:localhost:4

Am 22.10.2013 18:42, schrieb Oliver Albertini:
> If the jobs are all on the same localhost, then they should all be set up with the same speed:
>
> lapw0:localhost:4
> localhost:4
> localhost:4
> granularity:1
>
>
> On Tue, Oct 22, 2013 at 2:21 AM, <tran at theochem.tuwien.ac.at <mailto:tran at theochem.tuwien.ac.at>> wrote:
>
>     Hi,
>
>     I don't know what is the problem, but I can just say that
>     in .machines there is no line specific for the HF module.
>     If lapw1 and lapw2 are run in parallel, then this will be the same for hf.
>
>     F. Tran
>
>
>     On Tue, 22 Oct 2013, Martin Gmitra wrote:
>
>         Dear Wien2k users,
>
>         We are running recent version of Wien2k v13.1 in k-point
>         parallelization. To perform
>         screened HF we believe that MPI parallelization would speed up our calculations.
>         The calculations are intended for test reasons to be run on a local
>         multicore maschine.
>
>         Our .machines file looks like:
>         lapw0:localhost:4
>         1:localhost:4
>         2:localhost:4
>         hf:localhost:4
>         granularity:1
>
>         Invoking x lapw0 -p
>         starting parallel lapw0 at Tue Oct 22 09:15:48 CEST 2013
>         -------- .machine0 : 4 processors
>         LAPW0 END
>         LAPW0 END
>         LAPW0 END
>         LAPW0 END
>         58.2u 0.6s 0:16.92 348.4% 0+0k 0+37528io 21pf+0w
>
>         run lapw0 in parallel while
>         x lapw1 -up -c -p
>         starting parallel lapw1 at Tue Oct 22 09:18:30 CEST 2013
>         ->  starting parallel LAPW1 jobs at Tue Oct 22 09:18:30 CEST 2013
>         running LAPW1 in parallel mode (using .machines)
>         Granularity set to 1
>         Extrafine unset
>         @: Expression Syntax.
>         0.0u 0.0s 0:00.10 10.0% 0+0k 0+64io 0pf+0w
>         error: command   /temp_local/CODES/WIEN2k_v13___mpi/lapw1cpara -up -c
>         uplapw1.def   failed
>
>         The parallel_options file looks like:
>         setenv TASKSET "no"
>         setenv USE_REMOTE 0
>         setenv MPI_REMOTE 0
>         setenv WIEN_GRANULARITY 1
>
>         Before starting the tests we load all libs from intel compiler sets WIENROOT and
>             export TASKSET="no"
>             export USE_REMOTE=0
>             export MPI_REMOTE=0
>             export WIEN_GRANULARITY=1
>             export WIEN_MPIRUN="mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_"
>
>         Do you have any idea while lapw1 does not start?
>         Many thanks in advance,
>
>         Martin Gmitra
>         Uni Regensburg
>         _________________________________________________
>         Wien mailing list
>         Wien at zeus.theochem.tuwien.ac.__at <mailto:Wien at zeus.theochem.tuwien.ac.at>
>         http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>         SEARCH the MAILING-LIST at: http://www.mail-archive.com/__wien@zeus.theochem.tuwien.ac.__at/index.html
>         <http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html>
>
>     _________________________________________________
>     Wien mailing list
>     Wien at zeus.theochem.tuwien.ac.__at <mailto:Wien at zeus.theochem.tuwien.ac.at>
>     http://zeus.theochem.tuwien.__ac.at/mailman/listinfo/wien <http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>     SEARCH the MAILING-LIST at: http://www.mail-archive.com/__wien@zeus.theochem.tuwien.ac.__at/index.html
>     <http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html>
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------