Reproducibility, accuracy and performance of the Feltor code and library on parallel computer architectures

Feltor is a modular and free scientific software package. It allows developing platform independent code that runs on a variety of parallel computer architectures ranging from laptop CPUs to multi-GPU distributed memory systems. Feltor consists of both a numerical library and a collection of application codes built on top of the library. Its main target are two- and three-dimensional drift- and gyro-fluid simulations with discontinuous Galerkin methods as the main numerical discretization technique. We observe that numerical simulations of a recently developed gyro-fluid model produce non-deterministic results in parallel computations. First, we show how we restore accuracy and bitwise reproducibility algorithmically and programmatically. In particular, we adopt an implementation of the exactly rounded dot product based on long accumulators, which avoids accuracy losses especially in parallel applications. However, reproducibility and accuracy alone fail to indicate correct simulation behaviour. In fact, in the physical model slightly different initial conditions lead to vastly different end states. This behaviour translates to its numerical representation. Pointwise convergence, even in principle, becomes impossible for long simulation times. In a second part, we explore important performance tuning considerations. We identify latency and memory bandwidth as the main performance indicators of our routines. Based on these, we propose a parallel performance model that predicts the execution time of algorithms implemented in Feltor and test our model on a selection of parallel hardware architectures. We are able to predict the execution time with a relative error of less than 25% for problem sizes between 0.1 and 1000 MB. Finally, we find that the product of latency and bandwidth gives a minimum array size per compute node to achieve a scaling efficiency above 50% (both strong and weak)

Quenching of Weak Interactions in Nucleon Matter

We have calculated the one-body Fermi and Gamow-Teller charge-current, and vector and axial-vector neutral-current nuclear matrix elements in nucleon matter at densities of 0.08, 0.16 and 0.24 fm$^{-3}$ and proton fractions ranging from 0.2 to 0.5. The correlated states for nucleon matter are obtained by operating on Fermi-gas states by a symmetrized product of pair correlation operators determined from variational calculations with the Argonne v18 and Urbana IX two- and three-nucleon interactions. The squares of the charge current matrix elements are found to be quenched by 20 to 25 % by the short-range correlations in nucleon matter. Most of the quenching is due to spin-isospin correlations induced by the pion exchange interactions which change the isospins and spins of the nucleons. A large part of it can be related to the probability for a spin up proton quasi-particle to be a bare spin up/down proton/neutron. We also calculate the matrix elements of the nuclear Hamiltonian in the same correlated basis. These provide relatively mild effective interactions which give the variational energies in the Hartree-Fock approximation. The calculated two-nucleon effective interaction describes the spin-isospin susceptibilities of nuclear and neutron matter fairly accurately. However $\geq$ 3-body terms are necessary to reproduce the compressibility. All presented results use the simple 2-body cluster approximation to calculate the correlated basis matrix elements.Comment: submitted to PR