X-pop3-spooler:	POP3MAIL 2.1.0 b 3 961213 -bs-
Delivered-To:	pcg AT goof DOT com
Message-Id:	<m0yI8As-0001zaC@chkw386.ch.pwr.wroc.pl>
Date:	Thu, 26 Mar 98 08:38
From:	strasbur AT chkw386 DOT ch DOT pwr DOT wroc DOT pl (Krzysztof Strasburger)
To:	Hannes DOT Loeffler AT uibk DOT ac DOT at, jheyd AT tech DOT chem DOT ethz DOT ch
Subject:	Re: Problem with unusual array dimensions in Fortran
Cc:	beastium-list AT Desk DOT nl
Sender:	Marc Lehmann <pcg AT goof DOT com>
Status:	RO
Lines:	21

>> > GNU Fortran Front End version 0.5.22-19970929
>> > test.f: In subroutine `sub':
>> > test.f:12:
>> >          subroutine sub(b)
>> >                         ^
>> > Array `b' at (^) is too large to handle
>>=20
>> GAUSSIAN?

>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.
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).
Krzysztof Strasburger

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