From owner-chemistry@ccl.net Sat Apr 15 11:23:00 2006 From: "Dr. N. SUKUMAR nagams]|[rpi.edu" To: CCL Subject: CCL:G: Cube file Message-Id: <-31519-060414104008-1216-+DaUbu0hRhIbMC+bKOHl2g!=!server.ccl.net> X-Original-From: "Dr. N. SUKUMAR" Content-Disposition: inline Content-Transfer-Encoding: binary Content-Type: text/plain Date: Fri, 14 Apr 2006 10:40:07 -0400 MIME-Version: 1.0 Sent to CCL by: "Dr. N. SUKUMAR" [nagams-$-rpi.edu] ==============Original message text=============== On Thu, 13 Apr 2006 10:14:50 EDT "Ricky Shen hxhgxy2:_:163.com" wrote: Sent to CCL by: "Ricky Shen" [hxhgxy2++163.com] Hi, Only Computing the Laplacian of the density, The error will be appear. the cube file can't be archived. My input file: %rwf=csc,-1 %nosave %chk=csc %mem=750mb P b3lyp/6-31g* geom=check guess=read Cube=(laplacian,Fine) No title specified 0 1 csc.cube And the error: PGFIO-F-217/formatted read/unit=5/attempt to read past end of file. File name = /home/swain/sc/Gau-3661.inp formatted, sequential access record = 12 In source file dencub.f, at line number 366 At Linux OS, both G98 and G03 have error, but it not appear at Windows OS. ===========End of original message text=========== Could be a dos2unix problem. Do you have an end-of-line character (or a blank line) after the laat line? Dr. N. Sukumar Center for Biotechnology and Interdisciplinary Studies Rensselaer Polytechnic Institute