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Dr. D. E. Vitale
science forum beginner
Joined: 15 Apr 2006
Posts: 1
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 Posted: Sat Apr 15, 2006 9:23 pm Post subject:
National Computer Centers
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Hi,
Does anyone know of any (government?) computational chemistry sites at
which you can apply for time on high end hardware. I'd like to run some DFT
calculations using large basis sets on C20 to C30 arenes, but it would take
months on any of the machines we have at my university.
DEV |
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Brian Salter-Duke
science forum beginner
Joined: 08 Jun 2005
Posts: 12
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| Posted: Sat Apr 15, 2006 10:23 pm Post subject:
Re: National Computer Centers
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Dr. D. E. Vitale <dalevitale@comcast.net> wrote:
| Quote: | Hi,
Does anyone know of any (government?) computational chemistry sites at
which you can apply for time on high end hardware. I'd like to run some DFT
calculations using large basis sets on C20 to C30 arenes, but it would take
months on any of the machines we have at my university.
DEV
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It would help if you had said which Government you live and work under.
Others are unlikely to fund you. You did not even give your university
via the e-mail address.
Good luck.
--
Brian Salter-Duke Melbourne, Australia
My real address is b_duke(AT)octa4(DOT)net(DOT)au
Use this for reply or followup |
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Ron Jones
science forum Guru Wannabe
Joined: 16 May 2005
Posts: 175
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| Posted: Sun Apr 16, 2006 3:58 pm Post subject:
Re: National Computer Centers
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Brian Salter-Duke wrote:
| Quote: | Dr. D. E. Vitale <dalevitale@comcast.net> wrote:
Hi,
Does anyone know of any (government?) computational chemistry
sites at which you can apply for time on high end hardware. I'd like
to run some DFT calculations using large basis sets on C20 to C30
arenes, but it would take months on any of the machines we have at
my university.
DEV
It would help if you had said which Government you live and work
under. Others are unlikely to fund you. You did not even give your
university via the e-mail address.
Good luck.
|
A quick Whois shows his ISP in San Diego. So he's not my side of the pond
either.
--
Ron Jones
Process Safety & Development Specialist
Don't repeat history, see unreported near misses in chemical lab/plant
at http://www.crhf.org.uk
Only two things are certain: The universe and human stupidity; and I'm
not certain about the universe. ~ Albert Einstein |
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Uncle Al
science forum Guru
Joined: 24 Mar 2005
Posts: 1226
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| Posted: Sun Apr 16, 2006 8:26 pm Post subject:
Re: National Computer Centers
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"Dr. D. E. Vitale" wrote:
| Quote: |
Hi,
Does anyone know of any (government?) computational chemistry sites at
which you can apply for time on high end hardware. I'd like to run some DFT
calculations using large basis sets on C20 to C30 arenes, but it would take
months on any of the machines we have at my university.
|
AMD Developer Center may cobble together some surplus hardware for you
to use if you know somebody who is registered with them and does
business. We enjoyed 40 days continuous in a cluster of 16
Opteron-848s. AMD was mildly amused that we ran it to 99.9% of
capacity the whole time. That's a whole lot of number crunching.
Long_double_precision calculations die around 5x10^17 atoms in a
crystal lattice.
http://developer.amd.com/default.aspx
A second possibility would be Lucasfilm, Pixar, and other houses that
do intensive hardware-based animation and CGI. They have retired
hardware and surplus cycles in current iron that they occasionally
donate.
A third possiblity is to look in the TOP 500 and ask sites for time,
http://www.top500.org/
NASA's "Columbia" was built with Intel Itaniums at obscene expense,
proven to be crap, then entirely rebuilt with Itanium-2s (still crap,
BTW. 60% the number of AMD Opterons would have equaled it). See if
they have some of the original modules propping open doors.
--
Uncle Al
http://www.mazepath.com/uncleal/
(Toxic URL! Unsafe for children and most mammals)
http://www.mazepath.com/uncleal/qz3.pdf |
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