Re: [AMBER] MMPBSA entropy calculations ASSERTion ' ier == 0 ' failed in nmode.f at line 114. ?

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 6 Feb 2012 14:31:06 -0500

On Mon, Feb 06, 2012, Ake Sandgren wrote:
>
> 934033531 real words... shouldn't that be 934033531 * 4 = 3736134124
> bytes ~= 3.5 GB?

I miscounted the digits...this is about 10**9 (double precision) real words,
or 7-8 Gbytes. Lots of machines should have that much memory.

...dac


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Received on Mon Feb 06 2012 - 12:00:02 PST
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