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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 14 2006 - 06:07:12 PDT
