AMBER: memory prolem of the nmode calculation

From: Xiao Jian Tan <xjtan.umich.edu>
Date: Tue, 30 Nov 2004 18:24:18 -0500 (EST)

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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Nov 30 2004 - 23:53:00 PST
Custom Search