[Wien] A little help with wienk in parallel mode

[Nilton]

ok, thanks.
Nilton

2011/12/16 Peter Blaha <pblaha at theochem.tuwien.ac.at>

> As I said before: Read the usersguide. The structure and meaning of the
> .machines file
> is described in full detail there.
>
> PS: With the .machines file as given below you should see a total of 20
> lapw1_mpi   commands
>
> ---------------------------
>
>     MP  MPIRUN commando        : /home/nilton/mpich-1.2.7p1/**bin/mpirun
> -np 10 -machinefile /home/nilton/machines/.**machines
>
> This MPIRUN configuration is completely WRONG. Leave it exactly as
> suggested by WIEN2k during first siteconfig_lapw.
> .
>
> Am 15.12.2011 21:11, schrieb Nilton:
>
>> Dear Blaha,
>> thanks a lot for the explanations. It was very usefull.
>> Now I am running wien2k in parallel from run_lapw -p command. However, I
>> still have some little doubts about how the script works in parallel
>> mode....
>> 1. I just type run_lapw -p and I saw a lot of lapw1,2 processes on my
>> console. I have three quad core computers and I put this information into
>> the .machines files as you can see
>> below. But in same times I can see 20, 30 lapw1,2 process in all nodes of
>> the cluster. The question is: how run_lapw control the number of processes?
>> this question is important
>> because I would like to run wien from sge engine and in sge script I can
>> set up the number of processes.
>> 2. With siteconfig script I set up the MPIRUN variable for
>> Current settings:
>>      RP  RP_LIB(SCALAPACK+PBLAS): /usr/local/fftw/lib/libfftw_**mpi.a
>> /usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/**lib/libmpich.a
>>      FP  FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip
>> -DINTEL_VML
>>      MP  MPIRUN commando        : /home/nilton/mpich-1.2.7p1/**bin/mpirun
>> -np 10 -machinefile /home/nilton/machines/.**machines
>> /home/nilton/wien2k6static/**run_lapw
>>
>> Here, the questions is: what the purpose of that variable? how can it
>> help wiht run in parallel mode?
>>
>>
>>
>>
>> ------------------------------**--.machines
>> file--------------------------**-----
>> granularity:1
>> 1:bodesking.uefs.br:4
>> 1:compute-0-0.local:4
>> 1:compute-0-1.local:4
>> 1:compute-0-1.local:4
>> 1:compute-0-1.local:4
>>
>> thanks in advance.
>> Nilton
>>
>> --
>> Nilton S. Dantas
>> Universidade Estadual de Feira de Santana
>> Departamento de Ciências Exatas
>> Área de Informática
>> Av. Transnordestina, S/N, Bairro Novo Horizonte
>> CEP 44036900 - Feira de Santana, Bahia, Brasil
>> Tel./Fax +55 75 31618086
>> http://www2.ecomp.uefs.br/ <http://www.uefs.br/portal>
>>
>>
>>
>> ______________________________**_________________
>> Wien mailing list
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>> http://zeus.theochem.tuwien.**ac.at/mailman/listinfo/wien<http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien>
>>
>
> --
>
>                                      P.Blaha
> ------------------------------**------------------------------**
> --------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/**
> theochem/ <http://info.tuwien.ac.at/theochem/>
> ------------------------------**------------------------------**
> --------------
>
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>



-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ciências Exatas
Área de Informática
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ <http://www.uefs.br/portal>
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