Optimizing HPC and parallelization for computation Nanotechnology in MCCS environment

The essence of High performance computing (HPC) in the field of Nanotechnology and problems encountered by HPC arrangement in applying HPC to Nano-enabled calculations have been presented in the paper. A proposal to optimize computations in an HPC setup and distribution of work in various clusters has been formulated to make Nanotechnology computations more effective and realistic on a Windows Cluster Server based framework. Results and findings in the expected setup and the computation complexities that will be needed in its implementation have been suggested with an algorithm to take advantage of inbuilt powerful parallelization and distribution capabilities of Windows Server 2003 Compute Cluster Edition making large scale simulation possible. Connection of four nodes with the help of Microsoft Compute Cluster Server 2003 (MCCS 2003) has been carried out and algorithms were constructed in C# using Visual Studio IDE. In addition to the .NET Framework, Extreme Optimization Numerical Library for .NET has been used for performing high speed mathematical calculations. MPI .NET library has been employed to build parallel algorithms and breaking of computations into small tasks. Microsoft´s implementation of Message Passing Interface (MPI) included in MCCS was used for running computation application tests. Implementation of HPC in measuring reliability of Nanotechnology-based devices and computations of certain complex techniques in Nanotechnology is presented with a significant improvement in performance as compared to the last work which was implemented using distributive computing toolbox in MATLAB. Besides its use in large-scale computations, C# also offers more control over programming, runtime and execution of the application. A description of the progress in this area of research, future works and an extended approach in the same field is shown.