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Subject: Compiling envelop of aimpac suite....
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Hi to all

I4ve tried to compile envelop program in redhat 9.0 and I found a 
mistake inside the code. I think it4s a problem in the files 
downloading, but after fixed it, I found compilation problems. Has 
anyone compiled envelop in redhat 9.0  ? Is it a compiler problem? I 
haven4t any problem compiling proaimv, gridv, ext94v.
I would apreciate If someone can give the binary compiled under 
linux Redhat 9.0 or any help to compile it.

Thank you in advance.
Sergio
Sergio Garay
Bioquimico
J.T.P. Practica Profesional
Facultad de Bioquimica y Cs. Biologicas
Universidad Nacional del Litoral
Santa Fe (3000)- Paraje "El Pozo"
Argentina



From chemistry-request@ccl.net Sun Nov 23 14:28:19 2003
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Date: Sun, 23 Nov 2003 14:20:15 -0500
Subject: Re:G98 QCISD/MP4 calculations
From: "Olga Dmitrenko" <odmitr=at=UDel.Edu>
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Dear Jim,

We've had similar problems before with G2 calculations, in particular with
QCISD and MP2/6-311+G(3df,2p) steps. Sometimes I had to do stepwise
calculations and using G2
formulas from the original papers to calculate G2 energies and enthalpies.

What was helpful, we used maxdisk=1250 000 000 and large memory (%mem=1000MB
- you have it).
With best regards,
Olga

* Dr. Olga Dmitrenko
* Department of Chemistry and Biochemistry
* University of Delaware, Newark
* Delaware 19716, USA
*Tel: (302) 831-0887
* Email: odmitr=at=udel.edu