High-performance computing applications are increasingly integrating checkpointing libraries for reproducibility analytics. However, capturing an entire checkpoint history for reproducibility study faces the challenges of high-frequency checkpointing across thousands of processes. As a result, the runtime overhead affects application performance and intermediate results when interleaving is introduced during floating-point calculations. In this paper, we extend asynchronous multi-level checkpoint/restart to study the intermediate results generated from scientific workflows. We present an initial prototype of a framework that captures, caches, and compares checkpoint histories from different runs of a scientific application executed using identical input files. We also study the impact of our proposed approach by evaluating the reproducibility of classical molecular dynamics simulations executed using the NWChem software. Experiment results show that our proposed solution improves the checkpoint write bandwidth when capturing checkpoints for reproducibility analysis by a minimum of 30× and up to 211× compared to the default checkpointing approach in NWChem.