Evaluation of WIEN2K Performance on MPICH2 vs. MPICH1

The emerging multi-core computer architecture attracts the researchers to utilize this architecture as an adequate and inexpensive solution to achieve high performance computation for many problems. Where, the multi-core architecture enables us to implement shared memory and/or message passing parallel processing paradigms. Therefore, we need appropriate standard software libraries in order to utilize the resources efficiently for a given computational problem. In this work we evaluate the performance of two versions of the well known massage passing interface (MPI) library: MPICH1 vs. MPICH2. In our experiments we used two benchmarks. The first one is the WIEN2K application which is based on Density Function Theory, and the second is a Matrix multiplication. The results show that we achieve better performance when MPICH2 is used than MPICH1.