[gmx-developers] parallelization

Justin MacCallum jlmaccal at ucalgary.ca
Wed Jan 9 00:45:51 CET 2002


I'm working on parallelizing the pull code right now, but I'm having some
trouble figuring out exacly what is going on.  Is there any point at which
all nodes have the positions of all atoms?  I've looked through the source
code, but its a bit tricky to figure what's going on.  How do you debug an
MPI program.  I think that it might help me to understand whats happening
if I could step through the code. 

Also, would it be worth while to produce some sort of developer
documentation that has an overview of the different routines and how they
fit together?  I think that it might encourage more developement if it was
a little easier to get started.  I wouldn't mind producing some
documentation and adding some more comments to the source files if someone
was willing to answer questions along the way.


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