[molpro-user] MOLPRO on Itanium cluster

Jyh-Shyong Ho c00jsh00 at nchc.org.tw
Wed Jul 27 08:03:54 BST 2005

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

We have a HP XC cluster (IA64 cpu, 190 nodes, quadric interconnects, 
RedHat ES server 3.0),
with the help from HP's support team, we have installed the parallel 
version of Molpro2002.6 
on this platform.
As far as I know, HP's support team has submitted a new patch file, an 
installation guide and
a performance benchmark  to Molpro group. If your computer system  has 
similar configuration,
you should be able to build parallel Molpro2002.6 on your computer system.

Best regards

Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC

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