Turn days of simulation babysitting into minutes of automated, parallel computing.
CP2K Benchmark - H2O-512 Scaling on the Cloud
This benchmark evaluates the performance of the CP2K simulator by running an ab-initio molecular dynamics (AIMD) simulation of liquid water. The test is based on the standard H2O-64 benchmark from CP2K but extended to H2O-512 (512 water molecules, 1536 atoms, 4096 electrons) to better leverage cloud scalability.
Cost vs Time
This plot compares the execution cost against the simulation runtime, helping identify the sweet spot between speed and cost efficiency.