From chemistry-request@server.ccl.net Wed Apr 21 05:43:59 1999 Received: from www.ccl.net (www.ccl.net [192.148.249.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA17973; Wed, 21 Apr 1999 05:43:59 -0400 Received: from stan.ch.pwr.wroc.pl (stan.ch.pwr.wroc.pl [156.17.2.231]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id FAA18036 Wed, 21 Apr 1999 05:40:39 -0400 (EDT) Received: from localhost (stanley@localhost) by stan.ch.pwr.wroc.pl (8.8.7/8.8.7) with ESMTP id LAA10676 for ; Wed, 21 Apr 1999 11:42:15 +0200 Date: Wed, 21 Apr 1999 11:42:14 +0200 (EEST) From: Stanislaw Kucharski To: chemistry@www.ccl.net Subject: G98 on SGI r5000 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, I have some problem with getting a proper code of Gaussian 98 on SGI R5000, IRIX 6.3, F77 v.7.1, BLAS library - original. The compilation seemed to be successful, all modules were obtained. The test runs of selected at random test programs were in part OK. But, when running the test023.com, the program crushed with problems via link 9999. When trying optimization, the errors of initial Huckel guess (all values equal to zero), was always the case. I should be grateful for any helpful suggestion, as I am probably not the only person who met the above problem. With regards, Stan ********************************************************************* * Stanislaw Kucharski * Tel. +48 71 3202862 * * Institute of Organic and * +48 71 3202426 * * Polymer Technology * * * Wroclaw Technical University * Fax +48 71 3203678 * * ul. Wybrzeze Wyspianskiego 27 * * * 50-370 Wroclaw, Poland * * ********************************************************************* * E-mail: stanley@stan.ch.pwr.wroc.pl * * kucharski@itots.ch.pwr.wroc.pl * *********************************************************************