Date and Time: Wednesday 7 February 2018, 16:00 – 17:00 GMT
In this webinar, Dr. Timothy Ebbels, Faculty of Medicine, Department of Surgery & Cancer, Imperial College London, will talk on how a typical analysis may benefit from up-scaling to a cloud solution, using a conventional NMR tool, BATMAN and examine how it performs on differing levels of compute resources. The tests were carried at three different levels: 1) a high-end stand alone desktop machine (8 cores), 2) a medium scale cluster (50 cores), and 3) a large scale cluster (>1000 cores). In each case BATMAN was used to quantify 9 metabolites in 2000 1H NMR spectra of blood serum from the Multi Ethnic Study of Atherosclerosis. Initial tests show that a data set which takes 3 days to process on a desktop could be processed in just 6 hours on the medium scale cluster, suggesting that similar improvements can be expected by further increasing the number of cores. Overall, this investigation demonstrates the benefits, but also the limitations, of large scale compute infrastructures in processing large metabolomic data sets.