Summary PC Cluster
Dear CCLers,
Thanks everyone for their response.
My previous question is:
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Hi CCLers,
I would like to known if anyone has a cluster of PC running gaussian94 in
Linux? What is the best way to do it?
Thanks in advance,
Daniel L. Bhering
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I summarizes all the responses as follows,
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> From David Groeten (spoel -8 at 8- xray.bmc.uu.se)
We're running G98 on our pC cluster, however not in parallel if that;s
what you mean. Gaussian sell their Linda environment (www.gaussian.com)
which is quite expensive but not well scaling (poor).
Just get fast machines, and run a queuing system, and run multiple jobs
side by side each on their machine.
> From James Kubicki (kubicki -8 at 8- geosc.psu.edu),
Clusters are built to run Gaussian 98 instead of Gaussian 94.
> From Doug Fox (fox -8 at 8- gaussian.com),
We added support for Gaussian + Linda to run on Linux clusters with the
release of Gaussian 98. There are a number of changes to the source to
make the code work so you would be better off upgrading.
> From Jerry Lipchus (lipchus -8 at 8- sca.com),
The Gaussian recommended way to run Gaussian for Linux is to use Linda for
Gaussian http://www.sca.com/chemistry.html
Academic Pricing for Linda for Gaussian follows: Linda for Gaussian ONLY
Homogeneous IP-based Network $1500
90 days support comes with purchase
Maintenance/ software upgrades only $400
Maintenance/ upgrades & support $750
Heterogeneous IP based Network $2500
90 days support comes with purchase
Maintenance/ software upgrades only $600
Maintenance/ upgrades & support $1000
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Best Regards,
Daniel L. Bhering
Dept. of Organic Chemistry -UFRJ/Brazil