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Individual Windows, Linux, Mac OS X, or Other Unix Workstations

Individual workstations use the same version of NAMD as workstation networks, but running NAMD is much easier. If your machine has only one processor core you can run the any non-MPI namd2 binary directly:

  namd2 <configfile>

Windows, Mac OX X (Intel), and Linux-x86_64-multicore released binaries are based on ``multicore'' builds of Charm++ that can run multiple threads. These multicore builds lack a network layer, so they can only be used on a single machine. For best performance use one thread per processor with the +p option:

  namd2 +p<procs> <configfile>

For other multiprocessor workstations the included charmrun program is needed to run multiple namd2 processes. The ++local option is also required to specify that only the local machine is being used:

  charmrun namd2 ++local +p<procs> <configfile>

You may need to specify the full path to the namd2 binary.