CCL:G: problem about casscf calculation



 Sent to CCL by: "Benny E Arney" [chm_bea|a|shsu.edu]
 Dear Zijun,
  The memory limit set in the link 0 section is too small. The %mem should be set
 to at least 5000MW (or 40GB) to allocate sufficient memory to cover the
 "Need" amount in your output.
 Good Luck.
 Benny
 > "Zijun Yu zjyu.:.lamar.colostate.edu"  wrote:
 >
 > Sent to CCL by: "Zijun  Yu" [zjyu||lamar.colostate.edu]
 > Hi All,
 > I perform a CASSCF(14,11) calculation to serach the conical intersection.
 > My input file is as below:
 >
 > %chk=NM.chk
 > %mem=4000MB
 .
 > Core=46912516321296 Need=4476969654 GauSpace=46912516321296
 MaxMem=524288000 Avail=524288000.
 > Error termination via Lnk1e in
 /usr/apps/chemistry/gaussian/g03/g03/l510.exe at Tue Nov 30 12:43:52 2010.
 > Job cpu time:  0 days  0 hours  0 minutes 14.6 seconds.
 > File lengths (MBytes):  RWF=   43 Int=    0 D2E=    0 Chk=   10 Scr=    1
 >
 > Does it mean that the mem is not eough? Or how much mem I should allocate?
 > Thanks a lot
 > Zijun Yu
 > Department of chemistry
 > Colorado State university
 > Fort Collins, CO
 >
 >