[CPMD-list] error in BO-PIMD

[Axel Kohlmeyer]

On 6/7/07, qfzhang <qfzhang at aphy.iphy.ac.cn> wrote:
> Hi,dear all!
>    I want to use BO-PIMD for some calculations, but when I do a small test of H
> molecule, I find that it doesn't work. But when I specified PROCESSOR GROUPS=1,

please note, that phrases like "it doesn't work" will make it highly unlikely
that you get a useful response. your chances increase if you make it easy
for people to help you. as for how, i suggest you have a closer look at:
http://www.catb.org/~esr/faqs/smart-questions.html

cheers,
   axel.

> it began to work and seemed no problem. What's wrong with it, or it's due to my
> own mistake?
>    the input file is attached here.
>     Best wishes
>                                                  Qianfan Zhang
>                                                   2007-06-08
>
>
>
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>
>


-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
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If you make something idiot-proof, the universe creates a better idiot.