CCL:G: Cubegen Segfault



 Sent to CCL by: "Colin  Kinz-Thompson" [ckinztho:mail.rochester.edu]
 Hi,
 I'm using cubegen from Gaussian 2003 from a linux terminal to try and create a
 cube of the electron density of a molecule which is very large (~300 atoms).
 Originally, I performed a DFT calculation of the density using B3LYP as a
 hamiltonian and cc-pVDZ as a basis.  This successfully generated a checkpoint
 file, which I succesfully formated using formchk but when I try and run cubegen
 I keep getting a segmentation fault. Specifically:
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 Stack trace terminated abnormally.
 I've tried using 0 as the memory flag, and also setting it to the max my system
 can take (~450mw) as well as other lower values, but al give me a segfault. I
 know the calculations that I'm doing are very large, but G03 was able to handle
 the molecule in the first place. Does anyone have any ideas as to how I can get
 a cube file or even better, the electron density? Is there anyway that I can
 extrapolate the information from the .fchk file?
 Thank You,
 Colin Kinz-Thompson
 University of Rochester