[Wien] about parallel calculation,

[Jorissen Kevin]

If you want k-point parallellization, then use :
 
1:dog
1:dog
granularity:1
extrafine
 
If you want to use your MPI (which is probably not the best choice), you do
1:dog:2
granularity:1
extrafine
 
This should go into a file .machines
 
In both cases you start the calculation as 'run_lapw -p '.
 
 
If you get an error message as below :
* do you actually have the file lapw1(c)_mpi ?
* if not, go to $WIENROOT/SRC_lapw1 and do 
make rp
make cp
cp lapw1*mpi $WIENROOT
 
* Another thing you may want to tell us, is whether your MPI has been configured correctly : have you tested it with other software than wien?
* Is the sequential version of wien running?  And the k-parallel version?
 
 
 
If you need more specific information on MPI, why don't you inform people on the ML of what kind of system (hardware +OS) you have and what software you are using (wien version, MPI version, fortran compiler ...).
 
 
 
 
 
Kevin Jorissen
 
EMAT - Electron Microscopy for Materials Science   (http://webhost.ua.ac.be/emat/)
Dept. of Physics
 
UA - Universiteit Antwerpen
Groenenborgerlaan 171
B-2020 Antwerpen
Belgium
 
tel  +32 3 2653249
fax + 32 3 2653257
e-mail kevin.jorissen at ua.ac.be
 

________________________________

Van: wien-admin at zeus.theochem.tuwien.ac.at namens Yushan Wang
Verzonden: ma 28-2-2005 18:04
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: RE: [Wien] about parallel calculation,



hi, Dear,
with the .machines
....................
1:dog:2
granularity:1
extrafine:1
..............................
run"run_lapw -p -i 30"
I git the error:


mpirun: cannot start /opt/wien2k/lapw1c_mpi on n0 (o): No such file or
directory
cat: No match.


your help would be highly appreciated.

yushan

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