Thanks a lot!
Wei Chen
ÒýÓÃ Ross Walker <ross.rosswalker.co.uk>:
>
> > Total memory required : 409700851 real words
> > Total memory required : 46084583 integer words
> >
> > Maximum nonbond pairs 45462879
> > ASSERTion ' ier == 0 ' failed in nmode.f at line 105.
> >
> > I am wondering whether I can find a way to get around this problem.
> > Now I am using amber8 in SGI Origin 300 with 8 cpus and 4 GB
> > memory. What kind
> > of computational system do I need to get this done?
>
> Putting the words nmode and assertion into the search engine of the amber
> mailing list archive (http://amber.ch.ic.ac.uk/archive/) yields a number of
> useful hits. For example: http://amber.ch.ic.ac.uk/archive/200409/0115.html
>
> In your case you need a total of 409700851 + 46084583 = 455785434 words =
> 3477.37 MB of memory. So you need to be able to allocate at least this much
> memory on your machine. In reality you will need quite a bit more for other
> parts of the program, operating system overhead etc.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Department of Molecular Biology TPC15 |
> | The Scripps Research Institute |
> | Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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Received on Tue Aug 02 2005 - 05:53:01 PDT
