Execution

The program compiled for one processor can be started from a command line:

md md.in > md.out

where md.in is the main input file and md.out is output. Names of input and output files may be arbitrary

For parallel execution, use a command like

mpirun -np 8 mdp md.in > md.out

where number of processes is 8 and md.out is name of the output file. Other options for mpirun command can be given. Often mpirun can be invoked only from a queue batch script, see the rules in your computer center. Sometimes command poe is used to start a parallel program

If the argument with the name of the input file is absent, the program looks for file md.input and use it as input.