[EN] The calculation of overlaps between many-electron wave functions at different nuclear geometries
during nonadiabatic dynamics simulations requires the evaluation of a large number of determinants of
matrices that ...
[EN] We address the parallelization of the LU factorization of hierarchical matrices (H-matrices) arising from boundary element methods. Our approach exploits task-parallelism via the OmpSs programming model and runtime, ...
[EN] We propose a reproducible variant of the unblocked LU factorization for graphics processor units (GPUs). For this purpose, we build upon Level-1/2 BLAS kernels that deliver correctly-rounded and reproducible results ...
Lotfi, T.; Bakhtiari, P.; Cordero Barbero, Alicia; Mahdiani, K.; Torregrosa Sánchez, Juan Ramón(Taylor & Francis: STM, Behavioural Science and Public Health Titles, 2015-09-02)
It is attempted to put forward a new multipoint iterative method of sixth-order convergence for approximating solutions of nonlinear systems of equations. It requires the evaluation of two vector-function and two Jacobian ...
[EN] We analyze the benefits of look-ahead in the parallel execution of the LU factorization with partial pivoting (LUpp) in two distinct "asymmetric" multicore scenarios. The first one corresponds to an actual hardware-asymmetric ...