[Wien] wien2k in suse 9.2

[Andrea Salguero]

Dear prof. Blaha
thank you very much for reply
Definitly is a problem of communication between the machines, I put the -fx in 
the first line of the script and it stops in the line "waiting", I did the 
same test in two 64 bits machines with gentoo and the calculation ended.
We are now thinking about change the linux version.

However, thank you very much for your help

regards

andrea


On Wednesday 27 April 2005 20:33, Peter Blaha wrote:
> Edit lapw2para_lapw and use   -fx   instead of -f in the first line
> of the script.
>
> This logs all actions of this script and when you calculate
>
> x lapw2 -p
>
>
> From your description it seems that everything has ended and lapw2para
> should then check every few seconds if the k-loop has finished and finally
> continue after the "wait" statement, when all processes have finished.
>
> with the -x option  you should see what it actually does and most likely
> also see the problem.
>
> > people that use suse 9,2 or 9.1 can help me. The problem is the
> > following: I have two machines AMD 64 bits, with suse 9.2, intel
> > compilers for fortran and c++ , mkl and so on instaled under the same
> > path in both machines, they are sharing the
> >
> > I can go from one machine into the other with ssh without password and
> > when I do (from machine1 to machine2):
> > ssh machine1 date
> > I obtain the date of the machine2 and viceversa, without password.
> > I have a .machines file like the following:
> > 1:machine1
> > 1:machine2
> > granularity:1
> >
> > and this file works when I run calculations in 32-bits machines with
> > debian. When I try to run a parallel calculation (only parallelizing k,
> > nothing with MPI) I find that lapw0, and lapw1 runs in both machines but
> > lapw2 doesn't, and when I make 'top' in both machines (suppose I send the
> > job from machine1), in machine2 there's nothing and in machine1 is
> > running lapw1para but never ends!!!!!!!!, when I kill  lapw1para, lapw2
> > begins to run in both machines and again when lapw2 finish stay in
> > lapw2para but never ends neither.
> >
> > I have changed in the lapw*para scripts remote shell,
> > nice and even WIENROOT, but I think there is some problem of comunication
> > between the machines, does some of the people that is working with suse
> > machines have some idea????, I really thanks any comment about this.
> >
> > thanks
> > andrea
> >
> > ---
> > Andrea Salguero
> > salguero at itp.uni-frankfurt.de
> > Johann Wolfgang Goethe-Universität
> > Institut für Theoretische Physik
> > Max-von-Laue-Strasse 1
> > 60438 Frankfurt/Main
> > Germany
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
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> Wien at zeus.theochem.tuwien.ac.at
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-- 
Andrea Salguero
salguero at itp.uni-frankfurt.de
Johann Wolfgang Goethe-Universität
Institut für Theoretische Physik
Max-von-Laue-Strasse 1
60438 Frankfurt/Main
Germany