We present two main developments within the ray tracing package McXtrace in the recent timespan; The Union concept for building complex sample geometries which may also include sample environments, and the next generation code generator (nicknamed 3.0) which includes the option for GPU-acceleration through the OpenACC programming standard. Union is a concept which allows beamline simulation users to define enclosed regions in which the regular sequential nature of McXtrace simulation is replaced by a scattering network. Within the network any object can scatter towards any other object. Through a pre-analysis of the scattering the this may be done without excessive computational effort - i.e. it is still practical on a standard desktop computer without high-end specs. We will discuss our result results with this concept and how it can be used to, for instance, assess background contributions. Using the OpenACC programming paradigm, the simulation code generated by the new code generator, may now harness the power of novel GPU-cards for faster ray tracing, with fairly non-invasive changes to the user facing code. We will present results on where GPUs may be benefited from and what the user is required to do, in order to enjoy significant speed-ups.
Experiments conducted in large scientific research infrastructures, such as synchrotrons, free electron lasers and neutron sources become increasingly complex. Such experiments, often investigating complex physical systems, are usually performed under strict time limitations and may depend critically on experimental parameters. To prepare and analyze these complex experiments, a virtual laboratory which provides start-to-end simulation tools can help experimenters predict experimental results under real or close to real instrument conditions. As a part of the PaNOSC (Photon and Neutron Open Science Cloud) project, the VIrtual Neutron and x-raY Laboratory (VINYL) is designed to be a cloud service framework to implement start-to-end simulations for those scientific facilities. In this paper, we present an introduction of the virtual laboratory framework and discuss its applications to the design and optimization of experiment setups as well as the estimation of experimental artifacts in an X-ray experiment.
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