Hello,
here a short summary of the state of affairs at QMC@HOME:
* QUANTENCHEMIE
It's finally done - our first results are published:
http://pubs.acs.org/cgi-bin/abstract...jp077592t.html
Unfortunately, downloading the article is not free of charge
in the first year of publication (as it is sadly the norm
for scientific publications in our field of interest).
I will try to find out, whether we can do something about this
- here a little excerpt (more details will follow on the homepage):
"Acknowledgment. This work was supported by the Deutsche
Forschungsgemeinschaft in the framework of the SFB 424. The
authors thank J. Budde, M. Heinrich, C. Diedrich and C. Mück-
Lichtenfeld for technical assistance and more than 18000
volunteers worldwide for supporting QMC@HOME, especially
K. Marks and D. Sutton."
* QUANTENCHEMIE 2:
So everything works well with the smaller systems
and after several problems with the larger systems
(tripeptide conformers, alkane folding, stacking)
I seem to have found a solution for these problems
(the 'improved' units have names like
*exp-4L, *-ecp2/3 and *exp-4l-ecp2/3).
* TECHNICS:
At some time during January the server will be upgraded
with a RAID storage system. We will have to go offline for
about one day for this upgrade, a News posting will announce the date.
* TECHNICS 2:
Via the official BOINC mailing list our credits where adjudged too high,
so we will start to lower them during the next weeks.
Complaints from users with older systems drove our credit value to this region;
we are sorry that our project will not award comparable credit
to these machines any longer.
* PROJECT STATE:
After the server upgrade and a final preRC1 application release
we will start into the production phase with the new improved units
and corrected credit values.
* PROJECT STATE 2:
More and more volunteers support QMC@HOME,
by now with around 35 TFlop/s computing power,
to fully use this valuable resource we plan to
expand our project with a new project part
concerning other problems of Quantum Chemistry.
An official announcement on our homepage will follow
till the end of January (of course no calculations
will start before this and of course our scientific
focus will remain on basic Quantum Chemistry!).
Kind regards and thank you very much for you support in 2007!
Martin
