Dear Shamik, For 250 atoms a single server may not be a good idea. Specially for polymer where low Z elements are there... meaning higher energy cut-off...
However, for compact server there are several options. In fact now a days it is possible to have motherboard that supports 4 quadcore processors (e.g. Gigabit / Asus)... on the other hand AMD came out with 12 core processor... so in a single server one can have 4X12=48 cores. Doing a bit of gooling is best way to get the latest info about the hardware. Regards, C. B. Basak 2010/11/1 shamik chakrabarti <shamikphy at gmail.com> > Dear Peter Blaha Sir and wien2k users, > > We want to do DFT > calculation by wien2k for around *250 atoms/super cell* and we *also want > to do simulation of polymer through* *material studio*. My question is > what should be the best possible configuration for a server (computer) which > can serve this purpose?.....we initially do not want clusterring of many > nodes rather we want a compact server which will contain say atleast 2 quad > core processors. In terms of configuration we mainly need: > > (1) How many quad core processors we should use? (if it is possible to use > more than 2 quad core processor in a compact server!) > (2) If possible please suggest the name of the processor which can serve > our purpose the best ( Example: Intel Xeon Processor W3520, 2.66 GHz) > (3) What should be the RAM we should be opted for? > (4) Is there any other requirements except the above mentioned things we > should consider? > > Any response will be very helpful for us. Thanks in advance. > > with best regards, > > -- > Shamik Chakrabarti > Research Scholar > Dept. of Physics & Meteorology > Material Processing & Solid State Ionics Lab > IIT Kharagpur > Kharagpur 721302 > INDIA > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101102/e081a5f7/attachment.htm>