AMBER Archive (2004)

Subject: AMBER: memory prolem of the nmode calculation

From: Xiao Jian Tan (
Date: Tue Nov 30 2004 - 17:24:18 CST

Dear Amber users,

When I ran nmode calculation, it gave the following error message:

Total memory required : 406117959 real words

Total memory required : 22958146 integer words

Maximum nonbond pairs 22535540
ASSERTion 'ier == 0' failed in nmode.f at line 105.


In fact we do have enough memory (4G), should be enough for this system.
I also check the datasize and memoryuse, etc. All look fine to me.

cputime unlimited
filesize unlimited
datasize unlimited
stacksize unlimited
coredumpsize unlimited
memoryuse unlimited
vmemoryuse unlimited
descriptors 1024
memorylocked 4 kbytes
maxproc 7168

I really don't know why I cannot run this calculation. I would
appreciate for any suggestion.

Best regards,

Xiaojian Tan
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