TeAm AnandTech Distributed Computing
https://teamanandtech.org/
The article also has some info on OPN's currently running simulations, and on preparations for actual lab testing of previously analyzed compounds.What did we learn from the recent stress test?
The stress test was a great exercise to uncover bottlenecks in our workflow. Because of the almost unbelievable magnitude of results returned—the equivalent of about 3/4 of the number of CPU results for one year in one week—it became apparent to us that the major bottleneck was what we internally call "rehydration/analysis." This is the step where we convert the so-called "genome" describing the location, rotation, and torsion state of a given docking result into xyz atom coordinates and perform the analysis.
The stress test motivated us to develop considerable optimizations in our code for the GPU version. These optimizations sped up rehydration/analysis by more than ten-fold, which led to an overall speedup of 5x of our workflow. These optimizations are lined up to be incorporated in our mainstream code source in the AutoDock-GPU GitHub page and will be available to the whole community, benefiting all the researchers that use our code for their simulations.