First-principles electronic structure calculations are now accessible to a very large community of users across many disciplines, thanks to many successful software packages, some of which are described in this special issue. The traditional coding paradigm for such packages is monolithic, i.e., regardless of how modular its internal structure may be, the code is built independently from others, essentially from the compiler up, possibly with the exception of linear-algebra and message-passing libraries. This model has endured and been quite successful for decades. The successful evolution of the electronic structure methodology itself, however, has resulted in an increasing complexity and an ever longer list of features expected within all software packages, which implies a growing amount of replication between different packages, not only in the initial coding but, more importantly, every time a code needs to be re-engineered to adapt to the evolution of computer hardware architecture. The Electronic Structure Library (ESL) was initiated by CECAM (the European Centre for Atomic and Molecular Calculations) to catalyze a paradigm shift away from the monolithic model and promote modularization, with the ambition to extract common tasks from electronic structure codes and redesign them as open-source libraries available to everybody. Such libraries include “heavy-duty” ones that have the potential for a high degree of parallelization and adaptation to novel hardware within them, thereby separating the sophisticated computer science aspects of performance optimization and re-engineering from the computational science done by, e.g., physicists and chemists when implementing new ideas. We envisage that this modular paradigm will improve overall coding efficiency and enable specialists (whether they be computer scientists or computational scientists) to use their skills more effectively and will lead to a more dynamic evolution of software in the community as well as lower barriers to entry for new developers. The model comes with new challenges, though. The building and compilation of a code based on many interdependent libraries (and their versions) is a much more complex task than that of a code delivered in a single self-contained package. Here, we describe the state of the ESL, the different libraries it now contains, the short- and mid-term plans for further libraries, and the way the new challenges are faced. The ESL is a community initiative into which several pre-existing codes and their developers have contributed with their software and efforts, from which several codes are already benefiting, and which remains open to the community.

The exact evaluation of the disconnected diagram contributions to the flavor-singlet pseudo-scalar meson mass, the nucleon σ-term and the nucleon electromagnetic form factors is carried out utilizing GPGPU technology with the NVIDIA CUDA platform. The disconnected loops are also computed using stochastic methods with several noise reduction techniques. Various dilution schemes as well as the truncated solver method are studied. We make a comparison of these stochastic techniques to the exact results and show that the number of noise vectors depends on the operator insertion in the fermion loop.

3. The right to use all or part of the Article, including the APS-prepared version without revision or modification, on the author(s)' web home page or employer's website and to make copies of all or part of the Article, including the APS-prepared version without revision or modification, for the author(s)' and/or the employer's use for educational or research purposes." th May 2013Center vortices and the quark propagator in SU (2) We study the behavior of the AsqTad quark propagator in Landau gauge on quenched SU(2) gauge configurations under the removal of center vortices. In contrast to recent results in SU(3), we clearly see the infrared enhancement of the mass function disappear if center vortices are removed, a sign of the intimate relation between center vortices and chiral symmetry breaking in SU(2) gauge-field theory. These results provide a benchmark with which to interpret the SU(3) results. In addition, we consider vortexonly configurations. On those, the quark dressing function behaves roughly as on the full configurations, and the mass function picks up an almost linear momentum dependence.

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Getting scientific software installed correctly and ensuring it performs well has been a ubiquitous problem for several decades now, which is compounded currently by the changing landscape of computational science with the (re‐)emergence of different microprocessor families, and the expansion to additional scientific domains like artificial intelligence and next‐generation sequencing. The European Environment for Scientific Software Installations (EESSI) project aims to provide a ready‐to‐use stack of scientific software installations that can be leveraged easily on a variety of platforms, ranging from personal workstations to cloud environments and supercomputer infrastructure, without making compromises with respect to performance. In this article, we provide a detailed overview of the project, highlight potential use cases, and demonstrate that the performance of the provided scientific software installations can be competitive with system‐specific installations.

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The electromagnetic, axial and pseudoscalar nucleon to ∆ form factors are calculated using dynamical domain wall fermions at a lattice spacing of a = 0.114 fm on a lattice of spatial size 2.74 fm and pion mass of 331 MeV. Pion pole dominance and the Goldberger-Treiman relations are examined.

The electromagnetic, axial and pseudoscalar nucleon to ∆ form factors are calculated using dynamical domain wall fermions at a lattice spacing of a = 0.114 fm on a lattice of spatial size 2.74 fm and pion mass of 331 MeV. Pion pole dominance and the Goldberger-Treiman relations are examined. The XXVII International Symposium on Lattice Field Theory