CCL:G: Gaussian_GeoOpt_Diagonalization_Error

From: "Maura Mooney" <mmooney05]=[qub.ac.uk>
Subject: CCL:G: Gaussian_GeoOpt_Diagonalization_Error
Date: Fri, 17 Dec 2010 19:20:16 -0500

 Sent to CCL by: "Maura  Mooney" [mmooney05-#-qub.ac.uk]
 I was running a gaussian03 geometry optimization for the last 2 days.  It failed
 today with the error message:
 Diagonalization in DiagDN via DSPEV failed.
 Error terminaion via Lnkle in */l103.exe at Fri Dec 17 22:47:04 2010
 job cpu time: 2days 10 hours 43 minutes 45.9 seconds
 File lengths (Mbytes): RWF=   921  Int=   0  D2E=   0  Chk=   112  Scr=   1
 The input file takes the form:
 %chk=/*.chk
 %mem=40MW
 %nproc=1
 # opt=maxcyc=500 freq rhf/6-31g(d) geom=connectivity
 When I attempt to restart from chk file (using opt=restart geom=checkpoint,
 guess=read), I get the same error.
 I read a suggestion mentioning disk space or poor initial geometry.  I increased
 %/mem to 100MW but still the same error.
 Is this likely due to poor initial geometry?
 Thanx,
 Maura (mmooney05,,qub.ac.uk)