From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Sat Feb 21 2009 - 22:24:08 CST
Hi Joachim,
could you please send me your config files for making the compressed psf
and using it? I haven't seen this error before... if I don't see
anything obvious I'll need to forward you to the person who works on
this feature.
Thanks,
Peter
Joachim Hein wrote:
> 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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