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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 you can run the namd2 binary directly:

  namd2 <configfile>

For multiprocessor workstations, Windows and Solaris released binaries are based on SMP versions of Charm++ that can run multiple threads. For best performance use one thread per processor with the +p option:

  namd2 +p<procs> <configfile>

Since the SMP versions of NAMD are relatively new, there may be bugs that are only present when running multiple threads. You may want to try running with charmrun (see below) if you experience crashes.

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.


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Next: Linux, Mac OS X, Up: Running NAMD Previous: Mac OS X Users   Contents   Index
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