> 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
/\
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|\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 - 04:53:03 PDT
