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Message-ID:	<351A4267.48067BD2@tech.chem.ethz.ch>
Date:	Thu, 26 Mar 1998 11:56:23 +0000
From:	Jochen Heyd <jheyd AT tech DOT chem DOT ethz DOT ch>
Organization:	ETH Zurich
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To:	Krzysztof Strasburger <strasbur AT chkw386 DOT ch DOT pwr DOT wroc DOT pl>
CC:	beastium-list AT Desk DOT nl
Subject:	Re: Problem with unusual array dimensions in Fortran
References:	<m0yI8As-0001zaC AT chkw386 DOT ch DOT pwr DOT wroc DOT pl>
Sender:	Marc Lehmann <pcg AT goof DOT com>
Status:	RO
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Krzysztof Strasburger wrote:
> 
> >Yes, the one I'm trying to compile now is Gaussian94.
> >A 40% speed improvement would be measured in DAYS, so it's worth all the
> >trouble...
> I compiled g94 successfully using f2c/pgcc. It required some manual work
> (random number generator), but now everything works pretty well.
> The speed improvement is really 25-40% in comparison with gcc 2.7.2.1.
> I don't even try g77, as my friend compiled other quantum chemistry
> code (GAMESS) with g77 and it doesn't work properly.

I usually had good experiences with g77. The programs it is able to compile
usually run correctly (from my experience). I rewrote the makefile to
compile the other ones with f2c/pgcc. Took some time until I had it at the
point where everything compiles (this morning). I'll do some tests over the
rest of the week. If it works correctly, I'll let you know.

> The large library of g94 subroutines (util.a) has been compiled as
> shared library. Now I have the smallest g94 (about 10 MB of disk space
> instead of over 30 MB).

Great idea! How do you do that? Could you send me the bldg94 and makefile
used?

Thanks in advance

Jochen Heyd

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