[Wien] wien2k in suse 9.2

[Peter Blaha]

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
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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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