AMBER Archive (2006)

Subject: AMBER: Nmode memory allocation problem

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Mon Jun 12 2006 - 18:45:14 CDT

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?
Thanks!

All the best!

Liu 

-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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