Model Based Performance Evaluation for MPI Programs

Parallel Monte Carlo study on caffeine-DNA interaction in aqueous solution

“…Of course, neighboring processors should exchange some data to treat a particle motion from one region to another correctly, but this leads to negligible growing of calculation time. A high scalable software package was developed using both Fortran77 + MPI 1.2 [9] and ParJava [10] programming tools to study caffeine in aqueous solution.…”