678.9x
Molecular transport on GPU
- I started from a simulation of molecules moving through a narrow channel that already existed as a serial and an MPI version (by a colleague). With 4 and 8 cores, MPI sped it up 3.6x and 6.4x, respectively.
- I ported it to GPU with CUDA: 678.9 times faster than the serial version.
- That speed made it possible to sweep more than 14,000 configurations and fix a bias in lateral movement that could not be seen before.
- It is the same method I apply to a client's system: measure where the time goes, redesign what slows it down and prove the improvement with numbers.

Four of the more than 14,000 scenarios I tested, each with different rules for entering and leaving the channel.


