From: Joachim Hein (joachim_at_epcc.ed.ac.uk)
Date: Fri Feb 20 2009 - 13:48:24 CST
Hi,
I am building a memory optimised version following
http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdMemoryReduction
based on a CVS source I downloaded yesterday. Generating a compressed psf
file worked fine :)
Though when I try to run the compressed psf with a "--with-memopt"
compiled namd, I get:
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Currently not supporting building exclusion check on the fly for memory optimized version!
How do I get an exclusion check prior to the simulation (or compressing)?
Or asked simpler any pointers on how to make the problem go away and what
are the side-effects?
Thanks
Joachim
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