On Mon, 2012-02-06 at 08:10 -0500, David A Case wrote:
> On Sun, Feb 05, 2012, Urszula Uciechowska wrote:
>
> >
> > I am trying to run NM calculations, but i am getting an error:
> >
> > Total memory required : 934033531 real words
> > Maximum nonbond pairs 34573769
> > ASSERTion ' ier == 0 ' failed in nmode.f at line 114.
>
> > whta does that mean?
>
> It means you don't have enough memory on your machine to allocate about 10
> billion real words = 80 Gbytes. Your system is too big to do straightforward
> normal mode calculations to estimate entropies.
>
> It might help to try mmpbsa.py, which has ways reduce memory usage. But you
> are almost certainly going to need to either modify the problem, or find a
> machine with lots of memory (and have lots of patience yourself).
934033531 real words... shouldn't that be 934033531 * 4 = 3736134124
bytes ~= 3.5 GB?
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Received on Mon Feb 06 2012 - 06:00:03 PST
