From muguet ^at^ poly.polytechnique.fr  Mon Jan 24 10:52:46 1994
Received: from polytechnique.polytechnique.fr  for muguet \\at// poly.polytechnique.fr
	by www.ccl.net (8.6.4/930601.1506) id KAA23928; Mon, 24 Jan 1994 10:14:57 -0500
Received: from poly.polytechnique.fr (muguet |-at-| poly.polytechnique.fr [192.48.98.1]) by polytechnique.polytechnique.fr (8.6.4/8.6.4) with SMTP id QAA08987 for <CHEMISTRY |-at-| ccl.net>; Mon, 24 Jan 1994 16:02:06 +0100
Received: by poly.polytechnique.fr (5.57/DEC-Ultrix/4.3)
	id AA17543; Mon, 24 Jan 94 15:53:33 +0100
Date: Mon, 24 Jan 94 15:53:33 +0100
From: muguet $#at#$ poly.polytechnique.fr (muguet francis )
Message-Id: <9401241453.AA17543 ^%at%^ poly.polytechnique.fr>
To: CHEMISTRY # - at - # ccl.net
Subject: Vectorized MCSCF




 Subject : Vectorized MCSCF, COLOMBUS

  Hello,
  Dear Netters,

  I would like to know which ab initio MCSCF programs are well vectorized
  to run on a CRAY. ?
   ( My experience is that GAMESS is middly vectorized so far,
     Gaussian92 CASSCF is not very sophisticated,
     I going to try SIRIUS soon also on a CRAY).
  I have heard that COLOMBUS is very well
  vectorized and available by anonymous ftp but where ?

  What I am looking for is :
  A very well vectorized direct MCSCF program, with very good
 convergence properties for the excited states ( if possible,
 with molecular gradients which should allow geometry optimization )  
  
 
  Thanks in advance

  Francis F.MUGUET
  e-mail : muguet -8 at 8- poly.polytechnique.fr