From owner-chemistry@ccl.net Fri Nov 8 18:43:00 2013 From: "Jim Kress ccl_nospam : kressworks.com" To: CCL Subject: CCL:G: problem while running job Message-Id: <-49322-131108131414-5016-1uz/jOJurGVF/2q5chEdgQ[a]server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Fri, 8 Nov 2013 13:13:59 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam:_:kressworks.com] Did you try: http://www.gaussian.com/g_tech/1.htm ? Jim -----Original Message----- > From: owner-chemistry+ccl_nospam==kressworks.com-*-ccl.net [mailto:owner-chemistry+ccl_nospam==kressworks.com-*-ccl.net] On Behalf Of gurpreetkaur-x-iisermohali.ac.in Sent: Friday, November 08, 2013 4:30 AM To: Kress, Jim Subject: CCL:G: problem while running job Sent to CCL by: gurpreetkaur^^iisermohali.ac.in Dear Dave Close, Thanks for your reply. I have done same type of calculations on a similar system, but have never got this kind of error. I am using Gaussian09 on windows on a computer with 16GB RAM, 500GB hard disk and i5 processor. > > Sent to CCL by: "Close, David M." [CLOSED*mail.etsu.edu] > Gurpreet: > What this message is telling you is that the MP2 calculations take > an enormous amount of temporary disk space during the calculations. > You can see in the error message that you have exceeded this limit. > You do not say what program you are using, or what type of computer > you are using. This problem has been discussed on the CCL list. The > solution depends on the software and the hardware. > Regards, Dave Close. > > -----Original Message----- >> From: owner-chemistry+closed==etsu.edu:-:ccl.net >> [mailto:owner-chemistry+closed==etsu.edu:-:ccl.net] On Behalf Of >> Gurpreet Kaur gurpreetkaur],[iisermohali.ac.in > Sent: Tuesday, November 05, 2013 6:43 AM > To: Close, David M. > Subject: CCL: problem while running job > > > Sent to CCL by: "Gurpreet Kaur" [gurpreetkaur-.-iisermohali.ac.in] > Disk-based method using OVN memory for 8 occupieds at a time. > Estimated scratch disk usage= 1778589824 words. > Actual scratch disk usage= 1651100800 words. > JobTyp=1 Pass 1: I= 1 to 8 NPSUse= 4 ParTrn=T ParDer=T DoDerP=F. > BNAloc error: IScrX=19998 has length= 992742400 needs 993564672. > LAS= 658358400 NZItms= 658358400 IntFul= -1 > NCl= 6 LBuc= 1048064 NBucs= 942 > NDBuc= 698708 LASCl= 658358400 NPass= 1 > LW1= 115941800 LW2= 132756630 > Error termination via Lnk1e in C:\G09W\l906.exe at Tue Nov 05 > 16:12:52 2013. > > This message is appearing when I am trying to calculate single point > energy, My input file is > %nprocshared=4 > %mem=1GB > # mp2/6-31+g(d) geom=connectivity counterpoise=2 > output=wfnhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.cc > l.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txthttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt