Request suggestions for cray xe6

carlo antonio pignedoli c.pig... at
Thu Apr 26 09:30:23 UTC 2012

Dear all,
I have the impression I am missing many recent improvements of the code,
I was not able to follow them.

I usually run  standard DFT calculations for bulk/surface systems with
700-1500 atoms (10 to 18 electrons each)
on a Cray Xe6 (AMD Interlagos 2 x 16-core 64-bit CPUs, 32 GB per compute node)

Do you have suggestions for parameters  that would allow for an optimal use of
this architecture? (a problem I have is the limited amount of memory
per core 1GB)

Thanks in advance for your help


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