ok, thanks.<br>Nilton<br><br><div class="gmail_quote">2011/12/16 Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>></span><br><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
As I said before: Read the usersguide. The structure and meaning of the .machines file<br>
is described in full detail there.<br>
<br>
PS: With the .machines file as given below you should see a total of 20 lapw1_mpi commands<br>
<br>
---------------------------<div class="im"><br>
MP MPIRUN commando : /home/nilton/mpich-1.2.7p1/<u></u>bin/mpirun -np 10 -machinefile /home/nilton/machines/.<u></u>machines<br>
<br></div>
This MPIRUN configuration is completely WRONG. Leave it exactly as suggested by WIEN2k during first siteconfig_lapw.<br>
.<br>
<br>
Am 15.12.2011 21:11, schrieb Nilton:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><div></div><div class="h5">
Dear Blaha,<br>
thanks a lot for the explanations. It was very usefull.<br>
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....<br>
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<br>
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<br>
because I would like to run wien from sge engine and in sge script I can set up the number of processes.<br>
2. With siteconfig script I set up the MPIRUN variable for<br>
Current settings:<br>
RP RP_LIB(SCALAPACK+PBLAS): /usr/local/fftw/lib/libfftw_<u></u>mpi.a /usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/<u></u>lib/libmpich.a<br>
FP FPOPT(par.comp.options): -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML<br>
MP MPIRUN commando : /home/nilton/mpich-1.2.7p1/<u></u>bin/mpirun -np 10 -machinefile /home/nilton/machines/.<u></u>machines /home/nilton/wien2k6static/<u></u>run_lapw<br>
<br>
Here, the questions is: what the purpose of that variable? how can it help wiht run in parallel mode?<br>
<br>
<br>
<br>
<br>
------------------------------<u></u>--.machines file--------------------------<u></u>-----<br>
granularity:1<br>
1:<a href="http://bodesking.uefs.br:4" target="_blank">bodesking.uefs.br:4</a><br>
1:compute-0-0.local:4<br>
1:compute-0-1.local:4<br>
1:compute-0-1.local:4<br>
1:compute-0-1.local:4<br>
<br>
thanks in advance.<br>
Nilton<br>
<br>
--<br>
Nilton S. Dantas<br>
Universidade Estadual de Feira de Santana<br>
Departamento de Ciências Exatas<br>
Área de Informática<br>
Av. Transnordestina, S/N, Bairro Novo Horizonte<br>
CEP 44036900 - Feira de Santana, Bahia, Brasil<br>
Tel./Fax <a href="tel:%2B55%2075%2031618086" value="+557531618086" target="_blank">+55 75 31618086</a><br>
</div></div><div class="im"><a href="http://www2.ecomp.uefs.br/" target="_blank">http://www2.ecomp.uefs.br/</a> <<a href="http://www.uefs.br/portal" target="_blank">http://www.uefs.br/portal</a>><br>
<br>
<br>
<br>
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</div></blockquote><div><div></div><div class="h5">
<br>
-- <br>
<br>
P.Blaha<br>
------------------------------<u></u>------------------------------<u></u>--------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: <a href="tel:%2B43-1-58801-165300" value="+43158801165300" target="_blank">+43-1-58801-165300</a> FAX: <a href="tel:%2B43-1-58801-165982" value="+43158801165982" target="_blank">+43-1-58801-165982</a><br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/<u></u>theochem/</a><br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Nilton S. Dantas<br>Universidade Estadual de Feira de Santana<br>Departamento de Ciências Exatas<br>Área de Informática<br>Av. Transnordestina, S/N, Bairro Novo Horizonte<br>
CEP 44036900 - Feira de Santana, Bahia, Brasil<br>Tel./Fax +55 75 31618086<br><a href="http://www.uefs.br/portal" target="_blank">http://www2.ecomp.uefs.br/</a><br><br>