From chemistry-request@server.ccl.net Sat Feb 17 15:53:54 2001 Received: from water.cc.mcgill.ca (water.CC.McGill.CA [132.206.27.29]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f1HKrsw18012 for ; Sat, 17 Feb 2001 15:53:54 -0500 Received: from ariya430 (ariya430.Chem.McGill.CA [132.206.175.28]) by water.cc.mcgill.ca (8.11.1/8.11.0) with SMTP id f1HKjnH27432 for ; Sat, 17 Feb 2001 15:45:49 -0500 (EST) Message-Id: <200102172045.f1HKjnH27432@water.cc.mcgill.ca> From: "Alexei Khalizov" Organization: Chemistry Dept., McGill University To: chemistry@ccl.net Date: Sat, 17 Feb 2001 15:55:58 -0500 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: CCL:G98 .rwf file Priority: normal X-mailer: Pegasus Mail for Win32 (v3.01d) Hi, It looks like there is another limitation on %RWF command - you cannot split an RWF file on more than six parts. Gaussian98W produces a standard window with error message, but doesn't write any explanation in the output file. By the way, it happens when %RWF line length is well below 120 characters: %RWF=1\,2GB,2\,2GB,3\,2GB,4\,2GB,5\,2GB,6\,2GB It is enough to remove the last part ",6\,2GB" to make it work properly! The situation is ridiculous - to have a huge HDD and not to be able to use it efficiently! Regards, Alex >Hi Jeff, > >If the .rwf is the real problem, then you can split the file. You need >to specify the location of the file on the disk where you want to >write. The format is > >%RWF=loc1,size1,loc2,size2,...... > >You can write a line of 120 character at most. Look at chapter2 of >gaussian98 manual for more information. The %mem is used to >control the available dynamic memory which can't control the size >of .rwf. > >You can also reduce the file size by suppressing some of the >unnecessary calculations such as raman intensity in frequency >jobs etc.. > >Cheers, >Jamal Uddin ------------------------- Dr. Alexei Khalizov Department of Chemistry McGill University, 801 Sherbrooke St. W., Montreal, Quebec, CANADA, H3A 2K6 Phone: (514) 398-6920 Fax: (514) 398-2382