published results replication
Posted: Mon Nov 30, 2009 10:56 am
Dear openmm developers,
i'm attempting to replicate on a 9800 gx2 nvidia graphic card the published benchmark (Eastman P. and Pande V., J.Comput Chem 2009).
I think I've used the right parameters but i obtain only a poor 2.5x speed increment. Since i'm asking if you could send me the input files you use to run your simulations or, alternatively, any trick that can help me to increase the speed of my system.
Best regard, Dr. Oteri Francesco
i'm attempting to replicate on a 9800 gx2 nvidia graphic card the published benchmark (Eastman P. and Pande V., J.Comput Chem 2009).
I think I've used the right parameters but i obtain only a poor 2.5x speed increment. Since i'm asking if you could send me the input files you use to run your simulations or, alternatively, any trick that can help me to increase the speed of my system.
Best regard, Dr. Oteri Francesco