Accurate and efficient simulation of large parallel applications can be fac
ilitated with the use of direct execution and parallel discrete-event simul
ation. This paper describes MPI-SIM, a direct execution-driven parallel sim
ulator designed to predict the performance of existing MPI and MPI-IO appli
cation. MPI-SIM can be used to predict the performance of these programs as
a function of architectural characteristics, including number of processor
s, message communication latencies, caching algorithms, and alternative imp
lementations of collective I/O operations. Results are presented, which sho
w the use of MPI-SIM in performing a scalability study of real-world applic
ations. The benchmarks chosen for the study include Sweep3D, one of the ASC
I benchmarks, and BTIO, an I/O-intensive benchmark from the NAS Parallel Be
nchmark suite. MPI-SIM is shown to accurately and efficiently predict the p
erformance of Sweep3D running on an Origin 2000. It is also used to demonst
rate the impact of the number of I/O nodes on BTIO's performance.