[Wien] I still have problem with wienk in parallel mode

[Peter Blaha]

> model name      : Intel(R) Xeon(R) CPU           X3430  @ 2.40GHz
> stepping        : 5
> cpu MHz         : 1197.000

Are you running at half speed ???
At least on my machines it would indicate the expected cpu MHz of 2400


>     d) Do "cd $WIENROOT ; cp lapw1para lapw1para_hold" then edit lapw1para
>     and change the first line to "#!/bin/csh -xf" . This will give you
>     masses of output, and may show an error. If nothing else it will show
>     a command such as "mpirun ..." You can then paste this particular
>     command and run it at the terminal to get more information.
>
> I did. I dont got any error. but an strange message:
> ----------------------------------------------------it is a long message. I have the message in a file---------------------------
> sleep 1
> Pseudo-terminal will not be allocated because stdin is not a terminal.
> ssh: cd /home/nilton/pesquisa/dftCalc/calWien/gaxtl1-xas/075/case;time mpirun -np 4 -machinefile .machine: Name or service not known
> end
> ------------------------------------------------------------------------------------------------------------------------------
>
> It seems that are looking for .machine file. but It dont exist. I can paste this command because it dont have the exec. file

In principle this message should give you some clues.

The mpirun command you listed is incomplete and wrong. You said you have:

setenv WIEN_MPIRUN "mpirun -v -np _NP_ -machinefile _HOSTS_ _EXEC_"

I think  the "-v" is wrong ??

Try:
cd /home/nilton/pesquisa/dftCalc/calWien/gaxtl1-xas/075/case
which mpirun
ls -las lapw1*.def   (you should have lapw1_1.def (and also _2,_3)
ls -als .machine*
    you should have a file .machine1   and the content should be 4 lines with the corresponding hostnames
If you have it, try
mpirun -np 4 -machinefile .machine1 lapw1_mpi lapw1_1.def





-- 
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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
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