From chemistry-request@server.ccl.net Sun Nov 21 07:40:49 1999 Received: from iris.sipp.ac.cn ([202.127.25.14]) by server.ccl.net (8.8.7/8.8.7) with SMTP id HAA09573 for ; Sun, 21 Nov 1999 07:40:44 -0500 Received: from iris.sipp.ac.cn (202.127.25.133) by iris.sipp.ac.cn (EMWAC SMTPRS 0.81) with SMTP id ; Sun, 21 Nov 1999 19:39:28 +0800 Sender: user@ccl.net Message-ID: <3837D934.44FF2C34@iris.sipp.ac.cn> Date: Sun, 21 Nov 1999 19:36:20 +0800 From: mao xiang Organization: iris.sipp.ac.cn X-Mailer: Mozilla 4.05C-SGI [en] (X11; I; IRIX 6.3 IP32) MIME-Version: 1.0 To: chemistry@ccl.net Subject: compile problem of DeFT package Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi: I met a problem of compiling DeFT package from ccl. There are two errors when compile it: ------------------------------------ 1. Compiler error line 1234 of gradcddd.f: Too many names. Try the '-Nn#' option (# currently = 8191) 2. Compiler error line 1106 of gradxxdp3.f: Too many names. Try the '-Nn#' option (# currently = 8191) -------------------------------------- I have tried some numbers, but can not find the proper number,so I hope you can tell me how to compile these two files correctly. Many thanks. Regards, Mao Xiang ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~| Mao Xiang | | Lab of Molecular Regulation for Microbial Secondary Metabolism | | Shanghai institute of Plant Physiology, Academia Sinica | | 300 Fenglin Road, Shanghai, China, 200032 | | Tel: +86-21-64042090-4791 | | Fax: +86-21-64042385 | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ From chemistry-request@server.ccl.net Sun Nov 21 20:22:12 1999 Received: from mailbox.syr.edu (root@mailbox.syr.edu [128.230.18.5]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id UAA12184 for ; Sun, 21 Nov 1999 20:22:12 -0500 Received: from syr.edu (curie.syr.edu [128.230.187.116]) by mailbox.syr.edu (8.9.2/8.9.2) with ESMTP id TAA28327 for ; Sun, 21 Nov 1999 19:17:48 -0500 (EST) Sender: desingh@mailbox.syr.edu Message-ID: <38388CCA.79919B77@syr.edu> Date: Sun, 21 Nov 1999 19:22:35 -0500 From: Deepak Singh Organization: Dept. of Chemistry, Syracuse University X-Mailer: Mozilla 4.61C-SGI [en] (X11; I; IRIX64 6.5 IP30) X-Accept-Language: en MIME-Version: 1.0 To: Computational Chemistry List Subject: Open Visualization Data Explorer Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi, I have been looking into software (for IRIX) that will allow me to visualize MO's, charge densities etc. I heard a lot about AVS but that seems to have disappeared. I ran into IBM's 'Open Visualization Data Explorer' today and it seems to be similar to AVS. I would like to know if people have used this a lot with G98/94, GAMESS and MOPAC? Is the performance similar to AVS? Thanks Deepak -- ********************************************************************** Deepak Singh Tel : (315)443 1739 (w) Graduate Student (315)472 9659 (h) Dept. of Chemistry Fax : (315)443 4070 Syracuse University email : desingh@syr.edu 1-014 CST, Syracuse URL : http://web.syr.edu/~desingh NY 13244 "Violence is the last refuge of the incompetent." --- Salvor Hardin **********************************************************************