AEGIS Gateway AEGIS Gateway

Numerical simulations in the condensed matter physics deploy a broad range of algorithms, such as solving of nonlinear partial differential equations, classical and quantum Monte Carlo techniques, including solving of Bose-Hubbard and Fermi-Hubbard models, exact diagonalization techniques for strongly correlated systems, etc. Whichever is used, typically it requires large-scale computing resources for simulations of relevant physical systems.

Inside the Serbian Condensed Matter Physics Community (CMPC), the most prominent use of computing resources is related to the three applications: GP-SCL, SPEEDUP and QSPEEDUP. GP-SCL is a set of codes for calculating both stationary and non-stationary solutions of the time-dependent Gross-Pitaevskii (GP) equation in one, two, and three space dimensions in a trap using imaginary-time and real-time propagation. The Gross-Pitaevskii equation describes the properties of a dilute-trapped Bose-Einstein condensate. SPEEDUP and QSPEEDUP codes use respectively Monte Carlo (MC), and quasi-Monte Carlo (qMC) based path integral algorithms for calculation of quantum mechanical transition amplitudes for 1D models. All applications are fully written in C computing language, and do not depend on any external libraries. Beside the serial versions of the code, parallel versions are produced as well. In the case of GP-SCL code, a threaded (OpenMP-parallelized) version of the code is provided within the distribution, while SPEEDUP and QSPEEDUP applications come with MPI parallelization.

Within the framework of the SCI-BUS project, and using the infrastructure of Academic and Educational Grid Initiative of Serbia (AEGIS), we have provided a Scientific Gateway on top of these three applications. The development relies on a widely utilized Liferay-based WS-PGRADE/gUSE portal, which was extended with the application-specific workflows, and a set of modules which enable specification of the physical system to be studied numerically, as well as exporting of the results of simulations.