Category:Performance

The performance of VASP depends on multiple factors that the user can influence. First of all, state-of-the-art computer architecture, proper use of libraries, and compilation are prerequisites for good performance; see the instructions on installation.

Then, there are many features and algorithms implemented in VASP. Sometimes different algorithms can compute the same quantity with one algorithm being better performing for specific systems. For instance, one algorithm is faster for metallic systems, or another is suitable for systems with many atoms, etc.

Next, there are two main aspects of performance: memory consumption and compute time. These are discussed in detail on the following pages:

• Memory
• Parallelization