G94:disc space exceeded during AO/MO transformation
Dear Netters,
I'm having a problem with Gaussian94 attempting to run a CIS
single point calculation. Using 238 basis functions,
the 2GB disc space is exceeded during the transformation
of the AO integrals to the MO basis in link l804.
The output ends with the message:
Semi-Direct transformation.
ModeAB= 4 MOrb= 24 LenV= 2893898
LASXX= 31075194 LTotXX= 31075194 LenRXX= 62877810
LTotAB= 31802616 MaxLAS= 40782816 LenRXY= 0
NonZer= 93953004 LenScr= 143823404 LnRSAI= 40782816
LnScr1= 64068122 MaxDsk= -1 Total= 311552152
SrtSym= T
File extend in NtrExt1 failed.
File extend in NtrExt1 failed
If I try the keyword "transformation=fulldirect", I have not
enough memory.
With the keyword "cis=direct" the transformation is avoided
and everything works fine but I need the MO's !!!
Can anyone suggest a trick to complete the transformation?
Thank you very much for any help,
Christoph Niederalt
nieder %-% at %-% rs3.thch.uni-bonn.de