<t>why would not work? if the "main" program is executed with "mpirun -np num_nodes ./main" the "Cluster" will get allocated according to the num_nodes available. If the program is executer normally "./main" the Cluster will get another initialization (maybe NULL) and it will run with just one proce...

<r><br/> Hi Peter,<br/> <br/> Thanks for the reply.<br/> Let me first of all congratulate with you and your group for your work. I have been reading the code for several days and it looks really nice, well implemented and most of all very well documented.<br/> <br/> Exactly, starting from the defini...

<t>After seeing the slides OpenMM API & Roadmap, I have been trying to figure out the concept of MPI (or of any other intra-processes communication mechanism) as Platform in the OpenMM framework. I'm thinking about it in the context cluster computing where a computing node can potentially have a...