Subject: g98 unfchk conversion

From: Scott McMillan <[email-masked]>
Date: 6 Oct 2000 09:54:57 -0500

Hello,

I am trying to convert a formatted (ascii) g98 checkpoint file to a binary 
checkpoint file with the g98 utility unfchk.  When I do so, I get the 
following error:

% unfchk lafer_opt.fchk lafer_opt_pop.chk
 Read checkpoint file lafer_opt.fchk
 Write formatted file lafer_opt_pop.chk
 UFChkP allocation failure:  iend,mxcore=   3336038   3000000
 Error termination via Lnk1e.
Segmentation fault

It seems that unfchk has a staticly allocated array that my fchk file is too 
big for.  I've tried unfchk on several platforms (Tru64, Linux, HPUX) with the 
same result.  We don't have the g98 source, so I can't increase the size of 
whatever needs to be allocated myself.  Is there anything I can do?

Thanks,
Scott
--
Scott McMillan - [email-masked] 
Institute for Environmental Catalysis
Department of Chemical Engineering, Northwestern University
http://winnie.chem-eng.northwestern.edu/