From owner-chemistry@ccl.net Sat Feb 11 12:30:01 2017 From: "Basant Ali Ali basant_walieldeen[*]alex-sci.edu.eg" To: CCL Subject: CCL: Gaussian Memory error Message-Id: <-52637-170211104548-523-OrvLLQS/lI8RGDw/I2r21w!=!server.ccl.net> X-Original-From: "Basant Ali Ali" Date: Sat, 11 Feb 2017 10:45:47 -0500 Sent to CCL by: "Basant Ali Ali" [basant_walieldeen++alex-sci.edu.eg] I run a Td-DFT job using the level b3lyp/cc-pvdz; the molecule is 132 atom and 490 electron. first I used %mem=200MW the following error appeared: Out-of-memory error in routine CISAX (IEnd= 320112611 MxCore= 209714599) Use %mem=306MW to provide the minimum amount of memory required to complete this step. Error termination via Lnk1e in C:\G09W\l914.exe at Sat Feb 11 10:20:14 2017. Job cpu time: 0 days 0 hours 37 minutes 32.0 seconds. File lengths (MBytes): RWF= 4652 Int= 0 D2E= 0 Chk= 28 Scr= 1 Then I used %mem=306MW, but the job died after a second with no error %mem=276MW %nprocshared=8 Will use up to 8 processors via shared memory. %chk=D:\It's me\Sci\AUC\Paper 2\25\Z25cc-td.chk ------------------------------- # td=(nstates=10) b3lyp/cc-pvdz ------------------------------- 1/38=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=16,11=2,16=1,25=1,30=1,74=-5/1,2,8,3; 4//1; 5/5=2,38=5/2; 8/6=1,10=1,108=10/1; 9/41=10,42=1/14; 6/7=2,8=2,9=2,10=2/1; 99/5=1,9=1/99; what can I do, please?