[Wien] A little help with wienk in parallel mode

Nilton nilton.dantas at gmail.com
Thu Dec 15 21:11:36 CET 2011


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>
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