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).
....dac
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Received on Mon Feb 06 2012 - 05:30:02 PST
