Subject: GAMESS: how to perform very large CISD calcs using GUGA

From: <[email-masked]>
Date: Tue, 2 Oct 2001 14:04:52 -0400 (EDT)

Dear fellow GAMESS users:

I am trying to perform a CISD calculation on H2 using a very large
atomic basis set (250 to 350 one-electron basis functions).  I'm
running GAMESS version 6 SEP 2001 (R2) and using CITYP=GUGA to
exploit the high point group symmetry of H2.

Once I go past 200 one-electron basis functions I get a message from
subroutine DRTSYM:

NEXT IS TOO LARGE

Any ideas on how to work around this limit using CITYP=GUGA?

Thanks in advance,
RJH

--

Robert J. Hinde
Department of Chemistry
University of Tennessee
Knoxville, TN 37996-1600

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