From: Dr David R V Buckley <>
Date: Fri 26 Oct 2001 10:44:02 (GMT1BST)

Dear Amber Support,

Hi. We have a student in our Theoretical Chemistry department
who is trying to recompile sander on an IBM SP2 to run a model of
63 000 atoms. They have increased the sizes.h parameters as


but the job terminates abnormally with a warning to increase
MAX_RSTACK. Various trials with increased MAX_RSTACK have
produced the same result.

I wonder if you could let me know if you have a formula or rule of
thumb for setting MAX_RSTACK. I have checked the
documentation and can't find anything obvious.

Thanks very much and in advance.

David Buckley.

Dr David R V Buckley CPhys MInstP
Applications Software Support
Manchester Computing, The University of Manchester, 
Oxford Road, Manchester. United Kingdom.
+44 (0)161 275 5972
Received on Fri Oct 26 2001 - 10:44:02 PDT
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