[Pw_forum] need hints for running pw.x on BG/L

[Axel Kohlmeyer]

hi everybody,

does anybody have some experience with running pw.x on a BG/L
and could send me a few do's and don'ts?

i just managed to get (most) of the current QE-CVS compiled
and cp.x (with plain CP-dynamics) working (quite nicely actually),
but pw.x is still a bit picky and keeps crashing on me in the
middle of total energy calculations without any error output.
i'll keep playing around with different inputs and settings, but
would appreciate any help.

thanks,
    axel.

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.