From chemistry-request /at\server.ccl.net Thu Aug  1 12:35:30 2002
Received: from wrzx35.rz.uni-wuerzburg.de ([132.187.3.35])
	by server.ccl.net (8.11.6/8.11.0) with ESMTP id g71GZTf25438
	for <chemistry %-% at %-% ccl.net>; Thu, 1 Aug 2002 12:35:29 -0400
Received: from wrzx34.rz.uni-wuerzburg.de (wrzx34.rz.uni-wuerzburg.de [132.187.3.34])
	by wrzx35.rz.uni-wuerzburg.de (8.8.8/8.8.8/uniwue-MM-1.05) with ESMTP id SAA25027
	for <chemistry _-at-_)ccl.net>; Thu, 1 Aug 2002 18:35:24 +0200 (MET DST)
Received: from localhost (localhost [127.0.0.1])
	by wrzx34.rz.uni-wuerzburg.de (Postfix) with ESMTP id 11CC25F66
	for <chemistry#* at *#ccl.net>; Thu,  1 Aug 2002 18:35:24 +0200 (CEST)
Received: from wrzx07.rz.uni-wuerzburg.de (wrzx07.rz.uni-wuerzburg.de [132.187.1.7])
	by wrzx34.rz.uni-wuerzburg.de (Postfix) with ESMTP id A582E6272
	for <chemistry {*at*} ccl.net>; Thu,  1 Aug 2002 18:35:23 +0200 (CEST)
Received: from WACD55 (wacd55.chemie.uni-wuerzburg.de [132.187.24.155])
	by wrzx07.rz.uni-wuerzburg.de (Postfix) with ESMTP id 9EFF62D5
	for <chemistry: at :ccl.net>; Thu,  1 Aug 2002 18:35:23 +0200 (CEST)
From: "Dominik Auer" <tichupath # - at - # gmx.de>
To: chemistry(+ at +)ccl.net
Date: Thu, 1 Aug 2002 18:35:58 +0200
MIME-Version: 1.0
Subject: Gaussian 2GB limit with ReiserFS
Message-ID: <3D497F8E.14899.1081F9E0 $#at#$ localhost>
Priority: normal
X-mailer: Pegasus Mail for Windows (v4.01, DE v4.01-R3a)
Content-type: text/plain; charset=US-ASCII
Content-transfer-encoding: 7BIT
Content-description: Mail message body
X-Virus-Scanned: by AMaViS (Rechenzentrum Universitaet Wuerzburg)

Hallo CCL

we are having a problem with the 2GB limit on linux when doing g98 calculations 
(especially frequency calculations). Actually our used filesystem (ReiserFS) is 
supposed to allow files larger than 2GB, but calculations still keep crashing if the RWF-
Files exceeds the 2GB margin.

According to Gaussian the 2GB limit should no longer exist from Rev. A.7. We are 
using Rev. A.7 and a self compiled A.9, but on both versions the calculations keep 
crashing with the error:

Erroneous write during file extend. write 159743 instead of 4096

On the other hand it is possible to create normal files larger 2GB, I have tested this 
with a small program.

My questions are: 

1.) Could the limitation come from (sub-)shell limitation since g98 is working (as far as I 
know) in korn-shell while we are using bash? If so how can I exceed the limit?

2.) Is it possible that the limit has not been corrected in A.7?  Futhermore could it be 
caused by the fact, that our selfmade A.9 was build either with too old libraries or 
because it was build on a machine still having the 2GB limit? Somehow the limitation 
was then transferred into our binaries.    

If possible I need a permanently working solution, since I am the only one who knows 
how to maintain our systems.

Thanks in advance

Dominik Auer