From owner-chemistry@ccl.net Tue Nov 5 08:34:01 2013 From: "Gurpreet Kaur gurpreetkaur],[iisermohali.ac.in" To: CCL Subject: CCL: problem while running job Message-Id: <-49299-131105064309-28636-lNRRgAoSyrTgHw28gOE41w^server.ccl.net> X-Original-From: "Gurpreet Kaur" Date: Tue, 5 Nov 2013 06:43:07 -0500 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=wfn