Subject: G98-Compilation with -O4 (xlf 6.1)

From: [email-masked] (Christian M�ck-Lichtenfeld)
Date: Fri, 25 Feb 2000 15:17:02 +0100 (MEZ)

Dear colleagues,

we are currently trying to compile G98 (Rev.A7) under
AIX.4.3.3 on a IBM RS6K Model 43P 260 using xlf 6.1.
This compiler has a new optimization level (-O4),
which is known to give higher performance.
During our compilations using the default Makefile
(rs6k.make) with slight modifications (qarch=pwr3,
qtune=pwr3) and the flag -O4 we have not observed
any problems.
Running the executable results in error messages
like the following in all cases:

> ------------------------------------------------
> #P TEST STO-3G COMPLEX pop=full scf=conventional
> ------------------------------------------------
> QPERR --- AN ERROR IN THE PARSE TABLE WAS
> DETECTED.
> #P TEST STO-3G COMPLEX POP=FULL SCF=CONV
>    '
> Last state="GCL"
> TCursr=   40 LCursr=   3
> Error termination via Lnk1e in
> /home/root/g98/l1.exe.

Compilation with the same options but using -O3 
gives a properly working executable. 
Perhaps someone of you has made similar experiences
using optimization level 4 of xlf 6.1 when compiling
Gaussian98.

Thank you very much in advance for useful comments !

Best wishes,

Christian Mueck-Lichtenfeld

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Dr. Christian Mueck-Lichtenfeld
Westfaelische Wilhelms-Universitaet
Organisch-Chemisches Institut
Corrensstrasse 40
D-48149 Muenster, Germany

[email-masked]  |  +49 251 83 33239
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