Doing matter modeling generates vast amounts of data. We might most probably be working on different projects simultaneously. We definitely will have to revisit old data for revisions, post-processing, further studies, etc. Also, we might have to go through many failed calculations to reach the final results. It is always a good practice to keep all our data even after publication. However, its quite easy to lose track of our calculations (especially looking at old calculations) unless we keep them systematically.
In my case, I have been using Medea-VASP, a propriety software with a tool called JobServer which efficiently manage the calculations and data. Here is a screenshot:
How should I handle a huge number of calculations (data) efficiently and systematically while using matter modeling code?