Authors:
Abhinav Bhatele <[email protected]>
Edgar Solomonik
- Run the copy_namd.sh script (specify a correct path for namd inside the script) in the src_namd folder NOTE: NAMD source from 2010-04-01 will definitely work
- Go to the compile folder and type:
make
To run specify three parameters:
- A NAMD configuration file (such as apoa1.namd)
- The branching factor (default set to 2), and
- A load balancing strategy
Example:
./charmrun +p8 ./mol3d apoa1.namd 8 +balancer DummyLB
Run from the same folder as namd parameter files (need a .js format file)