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 any netlrts or multicore namd3 binary directly:
namd3 <configfile>
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:
namd3 +p<procs> <configfile>
Windows native builds are no longer provided for download. Instead, the Windows platform is now supported by running Linux-x86_64-multicore builds using WSL2 on Windows 10 or 11. Using the Linux builds through WSL2 generally offers higher performance than running native builds.
For other multiprocessor workstations the included charmrun program is needed to run multiple namd3 processes. The ++local option is also required to specify that only the local machine is being used:
charmrun namd3 ++local +p<procs> <configfile>You may need to specify the full path to the namd3 binary.