From owner-chemistry@ccl.net Tue Nov 23 12:15:01 2010 From: "Close, David M. CLOSED _ mail.etsu.edu" To: CCL Subject: CCL:G: Gaussian output problem Message-Id: <-43203-101123111848-31344-te7fFhUSIj947bS90MeKBQ||server.ccl.net> X-Original-From: "Close, David M." Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Tue, 23 Nov 2010 16:18:07 +0000 MIME-Version: 1.0 Sent to CCL by: "Close, David M." [CLOSED..mail.etsu.edu] Maciej: Do you own the source code? If so, look at the print command. The program is most likely trying to print a 5 digit number in a fix field (something like I4). Much of Gaussian code is in Fortran with fixed formats. The **** just mean that you have tried to print something that doesn't fix in the space allowed. Regards, Dave Close. -----Original Message----- > From: owner-chemistry+closed==etsu.edu^^ccl.net [mailto:owner-chemistry+closed==etsu.edu^^ccl.net] On Behalf Of Maciej Maslyk maciejmarcin.maslyk .. ceu.es Sent: Tuesday, November 23, 2010 8:45 AM To: Close, David M. Subject: CCL:G: Gaussian output problem Sent to CCL by: "Maciej Maslyk" [maciejmarcin.maslyk-,-ceu.es] Hi everyone, could you help me with one problem, please? Every time I'm running G03 job I got problem with outputs. The problem is that I cannot extract structures because there are stars **** instead of atom numbers higher than 9999. Have you ever had this problem in your calculation if you had more than 9999 atoms in the system? It looks like this in output: 9995 1 20001030 -12.655571 46.600810 32.540627 9996 1 20001030 -12.533484 47.134581 33.952118 9997 8 20001021 2.441067 -19.529269 31.331119 9998 1 20001030 2.813824 -19.307495 32.184450 9999 1 20001030 1.933916 -20.325103 31.491166 **** 8 20001021 37.587292 -11.572024 28.812192 **** 1 20001030 37.333847 -11.927328 27.960694 **** 1 20001030 38.095189 -12.272395 29.221488 **** 8 20001021 23.735956 -43.072924 13.135294 **** 1 20001030 23.388276 -42.182008 13.115359 **** 1 20001030 22.974070 -43.624340 13.312930 Do you have any suggestions? Thanks in advance Maciekhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt