[Wien] spaghetti for parallel lapw1

Jorissen Kevin Kevin.Jorissen at ua.ac.be
Thu Oct 28 09:51:50 CEST 2004


Should you not correct by + instead of by * ?
Your fix also matches lines starting with just ':'  (but then I guess that kind of line is not supposed to be in .processes anyway).
 
 
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 Arai Masao
Verzonden: do 28-10-2004 4:29
Aan: WIEN
Onderwerp: [Wien] spaghetti for parallel lapw1



Dear all,

When I calculate band structure on parallel machines with number of cpu
 >= 10,

    % x lapw1 -band -p
    % x spaghetti -p

the spaghetti draws only part of calculated k-points.
The problem does not occur if the number of cpu  < 10.

If I understand it correctly, the problem arises from the line 933 in
"x_lapw"

          @ cnum=`grep -ce "^[0-9] :" .processes`

Should it be corrected as follows (* after [0-9])?

          @ cnum=`grep -ce "^[0-9]* :" .processes`

Best regards,

--
Masao ARAI
National Institute for Materials Science (NIMS)
Computational Materials Science Center
First-Principles Simulation Group (II)
mail: arai.masao at nims.go.jp

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