Performance of SSE and AVX Instruction Sets

SSE (streaming SIMD extensions) and AVX (advanced vector extensions) are SIMD (single instruction multiple data streams) instruction sets supported by recent CPUs manufactured in Intel and AMD. This SIMD programming allows parallel processing by multiple cores in a single CPU. Basic arithmetic and data transfer operations such as sum, multiplication and square root can be processed simultaneously. Although popular compilers such as GNU compilers and Intel compilers provide automatic SIMD optimization options, one can obtain better performance by a manual SIMD programming with proper optimization: data packing, data reuse and asynchronous data transfer. In particular, linear algebraic operations of vectors and matrices can be easily optimized by the SIMD programming. Typical calculations in lattice gauge theory are composed of linear algebraic operations of gauge link matrices and fermion vectors, and so can adopt the manual SIMD programming to improve the performance.Comment: 7 pages, 5 figures, 4 tables, Contribution to proceedings of the 30th International Symposium on Lattice Field Theory (Lattice 2012), June 24-29, 201

Charge density functional plus UU calculation of lacunar spinel GaM4_4Se8_8 (M = Nb, Mo, Ta, and W)

Charge density functional plus $U$ calculations are carried out to examine the validity of molecular $J_\text{eff}$=1/2 and 3/2 state in lacunar spinel GaM$_4$X$_8$ (M = Nb, Mo, Ta, and W). With LDA (spin-unpolarized local density approximation)$+U$, which has recently been suggested as the more desirable choice than LSDA (local spin density approximation)$+U$, we examine the band structure in comparison with the previous prediction based on the spin-polarized version of functional and with the prototypical $J_\text{eff}$=1/2 material Sr$_2$IrO$_4$. It is found that the previously suggested $J_\text{eff}$=1/2 and 3/2 band characters remain valid still in LDA$+U$ calculations while the use of charge-only density causes some minor differences. Our result provides the further support for the novel molecular $J_\text{eff}$ state in this series of materials, which can hopefully motivate the future exploration toward its verification and the further search for new functionalities