Subject: Installation of g98 Rev A7

From: Jens Antony <[email-masked]>
Date: Thu, 14 Oct 1999 09:36:58 +0200 (MET DST)

Dear all!

We are installing the new version of Gaussian98 on an SGI R10000. The
compilation finishes without obvious error messages. When executing the
program, however, it stops without reading the input and writes a core
file. The output for example on test000 finishes with the following lines
immediately after the Gaussian citation: 

 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
               rrrrrrrrrrrr
 @@@@@@@@@@@@@@@@@@@@@@@@@@@
 @@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@@
 Route card not found.
 Error termination via Lnk1e in /pack/g98a7/g98/l1.exe.
 Job cpu time:  0 days  0 hours  0 minutes  0.0 seconds.
 File lengths (MBytes):  RWF=    0 Int=    0 D2E=    0 Chk=    0 Scr=    0

Thank you very much for your help.

Jens

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From: [email-masked]
Date: Thu, 14 Oct 1999 13:47:56 +0200 (MSZ)

My experience compiling g98 rev a7 on SGI R10000 was similar: I could compile
the program but the executable immedeately bombs (in the malloc function in
my case). I guess there must some OS incompatibilies between different
versions/patchlevels of IRIX.

Without 64-bit integers (i.e. with the 'old' Makefile), everything is OK.
So if you have less than 2 GB memory, you might be happy with this solution.

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From: [email-masked] (Bernd Melchers)
Date: Thu, 14 Oct 1999 16:18:10 +0200 (MEST)

'Jens Antony wrote:'
> program, however, it stops without reading the input and writes a core

You need a Makefile suitable for your compiler version.
Our gaussian98 A6 generates core dumps with compiler versions 7.3.1 (IRIX 6.5.5)
but not with compiler 7.2.x. There is a new Makefile available from
gaussian for 7.3.0 Compilers but it produces code which is
30 % slower. And occasionally dumps core, also.
It seems, the people at gaussian have to do some further
developement.

But who should be blamed for bad code, the compiler developer
at sgi or the programmer at gaussian???

Ciao
Bernd
-- 
Bernd Melchers             | [email-masked]
Freie Universitaet Berlin  | "We don't write software, we compose it."
AG Macromolecular Modelling - Prof. Dr. E.W. Knapp
for more information see http://userpage.chemie.fu-berlin.de/~melchers/

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From: Omar Stradella <[email-masked]>
Date: Thu, 14 Oct 1999 15:21:30 -0400 (EDT)

> So if you have less than 2 GB memory, you might be happy with this solution.

Some old versions of the compiler had problems with -i8 (I assume that's
what you call 64-bit integers, even though you can have 64-bit integers
without using -i8). There is no connection between -i8 and being able to
address more than 2GB of memory, that's enabled by using 64-bit pointers
(-64), -i8 allows you to create bigger files.

Omar.

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SGI / Chemistry and Biology Applications Group
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