AMBER Archive (2006)

Subject: AMBER: Nmode memory allocation problem

From: JunJun Liu (
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?

All the best!


JunJun Liu

College of Chemistry Central China Normal University WuHan 430079 P.R. China ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to To unsubscribe, send "unsubscribe amber" to