Hi Everyone, I am trying to run a simulation with the option "pbc=xy" turned on. I am using 64 processors for the simulation. The mdrun_mpi evokes the following error message before starting the md steps
There is no domain decomposition for 64 nodes that is compatible with the given box and a minimum cell size of 0.889862 nm Change the number of nodes or mdrun option -rdd or -dds Look in the log file for details on the domain decomposition This has to do with the load balancing in the domain decomposition version of mdrun. Can anyone suggest me how to set the option -rdd or -dds? Also the simulation runs fine on one node (with domain decomposition) and with particle decomposition but both of them extremely slow. Thank you, Amit
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