Computing facilities of Hobza & Jungwirth groups

The computing facilities of these two groups consist of a set of 16 Intel Xeon or AMD Opteron based Beowulf-type clusters containing about 450 computing nodes with 2950 processor cores in total (as of March 2012). Clusters are built and equipped with respect to the type of calculations that are planed to be run on them so researches are able to submit different types of calculations to the optimized hardware. Calculations that are being run on these computing clusters cover wide area of computer-based quantum chemistry from ab-initio calculations to molecular dynamics; programs like Gaussian, Molpro, Turbomole, Amber, Gromacs, and many others are routinely used for various types of theoretical studies.

Computing facilities of Havlas & Rulíšek groups

The computing facilities of these two groups consist Intel Core2, Intel Xeon a AMD Opteron based cluster containing 80 computing nodes with 400 processor cores in total (as of March 2012).

Computing facilities of Bouř group

The computing facilities of these two groups consist Intel Core2, Intel Xeon a AMD Opteron based cluster containing 50 computing nodes with 350 processor cores in total (as of March 2012).