VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations.

We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable and reusable procedures for verification, validation (V&V), sensitivity analysis (SA) and uncertainty quantication (UQ). It enables users to verify key aspects of their applications, systematically compare and validate the simulation outputs against observational or benchmark data, and run simulations conveniently on any platform from the desktop to current multi-petascale computers. In this sequel to our paper on VECMAtk which we presented last year [1] we focus on a range of functional and performance improvements that we have introduced, cover newly introduced components, and applications examples from seven different domains such as conflict modelling and environmental sciences.

Predicting queue wait time probabilities for multi-scale computing.

We describe a method for queue wait time prediction in supercomputing clusters. It was designed for use as a part of multi-criteria brokering mechanisms for resource selection in a multi-site High Performance Computing environment. The aim is to incorporate the time jobs stay queued in the scheduling system into the selection criteria.