CCL: CBS calculations in Gaussian
- From: Mark William Jarvis <Mark.Jarvis---colorado.edu>
- Subject: CCL: CBS calculations in Gaussian
- Date: Mon, 22 May 2006 15:52:06 -0600
Sent to CCL by: Mark William Jarvis [Mark.Jarvis() colorado.edu]
Hello,
I am attempting a CBS energy calculation for 2-Phenethyl Phenyl Ether, C14H14O.
As far as I know the job is set up properly and runs for just under 8 hours on a
very fast computer. The DFT job finishes and then the CBS starts and then ends
with these lines:
Estimate disk for full transformation 7484901414 words.
Semi-Direct transformation.
ModeAB= 4 MOrb= 298 LenV= 102702660
LASXX= 1603627806 LTotXX= 2179233291 LenRXX= 2645088382
LTotAB= 465855091 MaxLAS= 1886244789 LenRXY= 0
NonZer= 3673110703 LenScr= 5531293696 LnRSAI= 3759872556
LnScr1= 7559372288 LExtra= 0 Total= 19495626922
MaxDsk= -1 SrtSym= T ITran= 5
Erroneous write. Write -1 instead of 4096.
fd = 4
orig len = 4096 left = 4096
g_write
I know I haven't run out of disk space, since the admin's did see any disk full
messages.
Has anyone emcountered this type of problem before?
TIA
Mark Jarvis
Doctoral Candidate
Department of Mechanical Engineering
University of Colorado at Boulder