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
Dear Chandra,
Thank you very much for your kind information.
2010/11/2 Chandra Bhanu Basak cbbasak at gmail.com
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...
Fewer faster cores are better than more slower ones.
Unless the new AMD processors are very different from previous ones (I
don't know these 12 core cpus), I'd go for Intel Xeons (6 cores).
More important than the number of cores is the memory. Try to get
sufficient RAM (eg. 48 GB)
And: you
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
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