From owner-chemistry@ccl.net Sat Nov 9 06:00:00 2013 From: "gurpreetkaur::iisermohali.ac.in" To: CCL Subject: CCL:G: problem while running job Message-Id: <-49323-131109051944-4763-Go942pWPEeM5HAoEDcCZIA|-|server.ccl.net> X-Original-From: gurpreetkaur ~ iisermohali.ac.in Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1 Date: Sat, 9 Nov 2013 15:49:33 +0530 MIME-Version: 1.0 Sent to CCL by: gurpreetkaur++iisermohali.ac.in Dear Jim, I have not tried that, i will see it. > > 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> > >