Dear Shamik,<br><br>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... <br><br>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...<br>
so in a single server one can have 4X12=48 cores.<br><br>Doing a bit of gooling is best way to get the latest info about the hardware.<br><br>Regards,<br><br>C. B. Basak<br><br><br><br><div class="gmail_quote">2010/11/1 shamik chakrabarti <span dir="ltr"><<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear Peter Blaha Sir and wien2k users,<div><br></div><div> We want to do DFT calculation by wien2k for around <b>250 atoms/super cell</b> and we <b>also want to do simulation of polymer through</b> <b>material studio</b>. 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:</div>
<div><br></div><div>(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!) </div><div>(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) </div>
<div>(3) What should be the RAM we should be opted for?</div><div>(4) Is there any other requirements except the above mentioned things we should consider?</div><div><br></div><div>Any response will be very helpful for us. Thanks in advance. </div>
<div><br></div><div>with best regards,<br clear="all"><br>-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>
IIT Kharagpur<br>Kharagpur 721302<br>INDIA<br>
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