[molpro-user] MOLPRO on Itanium cluster

Morimoto Kenji morimoto at hpc.co.jp
Wed Jul 27 09:58:47 BST 2005


we have succeeded building molpro2002.6 on Itanium2 Linux w/ mpp option
by Intel Compiler and Math kernel library, and be testing it now.

but a limitation that max number of valence orbitals must be less than 200
is still exist.


S. V. K. Kumar wrote:
> We have dual Itanium 2 based 72 node cluster running Linux. Can MOLPRO run
> on this machine using its full resources? Does it have MPI support in
> addition to MPP.
> 
> 
> S. V. K. Kumar
> 
> -----------------------------------------------
> Prof. S. V. K. Kumar
> PAM Laboratory
> Tata Institute of Fundamental Research
> Homi Bhabha Road, Colaba
> Mumbai 400 005, India
> 
> Phone (Office): +91 - 22 - 2278 2455
>       (Lab)   : +91 - 22 - 2278 2729
> FAX           : +91 - 22 - 2280 4610 or 4611
> E-Mail        : svkk at tifr.res.in
> WebPage       : http://chatura.tifr.res.in/~svk
> -----------------------------------------------
> 
> 




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