Subject: CCL: Computation Resource Requirement.

From: Pijush Ghosh <pijush.ghosh~at~ndsu.nodak.edu>
Date: Tue, 07 Dec 2004 09:40:17 -0600

CCL Users,
       being new to the field of computational quantum mechanics, i have 
a basic question on the requirement of the resources for this type of 
computation.  Can anybody  cite any reference where i can get some 
relation between number of processors and time required  with that of 
number of atoms in a system , basis set used, etc.
     
In my system of Hydroxyapatite- polymer I have the following details:

atom                 number

Calcium              20
Phosphorous      12
Oxygen              54
Hydrogen           10
Carbon                 3

Basis set -            6-31+G**
Method -              HF (Hartree Fock)

can somebody  give idea on  processor-hour required. All my simulations 
are run on NCSA machines.

All suggesions and information appreciated in advance.

Pijush Ghosh.
NDSU.