AMBER: Nmode memory allocation problem

From: JunJun Liu <>
Date: Mon, 12 Jun 2006 20:45:14 -0300

Hi all,

I have a system containing 10,000 atoms which would need about 4GB memory
if want to do nmode calculation with ismem=1 specified. In our
supercomputer, there's 100GB free shared memory when I submit a nmode
calculation, but I'm still getting the following error messages:

  Total memory required : 538254755 real words

Total memory required : 60406787 integer words

Maximum nonbond pairs 59737914
ASSERTion 'ier == 0' failed in nmode.f at line 105.

Could anybody who knows the reason please help me solving this problem?

All the best!


JunJun Liu
College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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Received on Wed Jun 14 2006 - 06:07:12 PDT
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