Subject: G98 Oniom Help

From: Jim Stoner <[email-masked]>
Date: Sat, 14 Dec 2002 18:02:01 -0700 (MST)

Hello everyone,

I am having problems with an Oniom job using Gaussian 98,
x86-Linux-G98RevA.11.1 using a dual Xeon box with 1 GB shared.  It is
effectively a solvation geometry minimization.  Single molecule at B3LYP/6-311G*
in 93 waters at AM1.  The job progresses, and appears to be slowly converging,
when it terminates:

(Enter /usr/gaussian/g98/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 SLEqS1 Cycle:  9511 Max:0.157361E-03 RMS:0.226065E-04 Conv:0.167855E-09
 Incomplete coordinate system.  Try restarting with
 Geom=Check Guess=Read Opt=(ReadFC,NewRedundant)
 Incomplete coordinate system.
 Error termination via Lnk1e in /usr/gaussian/g98/l103.exe.
 Job cpu time:  0 days 23 hours 59 minutes 36.5 seconds.
 File lengths (MBytes):  RWF=  236 Int=    0 D2E=    0 Chk=  242 Scr=    1

So any ideas to what the error, "Incomplete coordinate system", is
refering to.  I have restarted the job as requested, but get the same
error in return.  Thanks in advance...

Jim

===============================================
James W. Stoner
Graduate Student
University of Denver
Eaton Electron Paramagnetics Laboratory
Department of Chemistry and Biochemistry
2101 East Wesley Avenue, Lab 170
Denver, Colorado 80208
303/359-8886
===============================================