PC for calculation of X-ray absorption spectra and electronic structure

■ This is an article posted on June 2012, 11, so the content of the information may be out of date.

This is a case that was proposed and produced from the request that "I want a Linux machine that can be used with FEFF9 and Wien2k of the University of Washington and has Intel Composer XE (Fortran, C ++, MKL) installed".

Two Xeons operating at 160 GHz (3.10 cores in total) and a memory of 2 GB were installed according to the budget of 16 million yen. We also selected Red Hat Enterprise Linux for which the operation of Intel compiler has been confirmed as the OS.