Execution Model of Three Parallel Languages: OpenMP, UPC and CAF

The aim of this paper is to present a qualitative evaluation of three state-of-the-art parallel languages: OpenMP, Unified Parallel C (UPC) and Co-Array Fortran (CAF). OpenMP and UPC are explicit parallel programming languages based on the ANSI standard. CAF is an implicit programming language. On the one hand, OpenMP designs for shared-memory architectures and extends the base-language by using compiler directives that annotate the original source-code. On the other hand, UPC and CAF designs for distribute-shared memory architectures and extends the base-language by new parallel constructs. We deconstruct each language into its basic components, show examples, make a detailed analysis, compare them, and finally draw some conclusions

Collision Cross Section Calculations Using HPCCS

A technical overview of the High Performance Collision Cross Section (HPCCS) software for accurate and efficient calculations of collision cross sections for molecular ions ranging from small organic molecules to large protein complexes is presented. The program uses helium or nitrogen as buffer gas with considerable gains in computer time compared to publicly available codes under the Trajectory Method approximation. HPCCS is freely available under the Academic Use License at https://github.com/cepid-cces/hpccs .</p