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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101101/3516b423/attachment.htm>