M. on parallel architecture

[Elmar Gerwalin]

Hello,
(maybe) our group is going to by new workstations, therefore I'm interested in 
the features and benchmarks of Molpro running on parallel systems.
The Manual and online informations are few....

A few details I'm interested in:

- which features of Molpro run in principal on  MPI, which on SMP systems ?
 ( SingleDeterminant (HF,DFT; Geom.Opt.), MultiReference and CCSD(T) are of 
most importance to us)

- how much "active electrons" can be calculated on 32 bit parallel job ?
 (This was a main advantage of 64 bit systems formerly)

- can parallel jobs allocate more than 4 GB of RAM total (say 8*1GB) ?
  (then 64 bit architecture would not be needed only because of the 4 GB-RAM 
limitation)

- benchmark data and experiences are welcome (beside those given on the Molpro 
web site)

Thanks for your help!

Bye
Elmar
 
-- 
========================================================
Elmar Gerwalin ,   University of Kaiserslautern,Germany
                   Dept. of Theoretical Chemistry
                   and  IT Service Team
                   elg at chemie.uni-kl.de    0631-205-2749
========================================================