3.1 Running examples

As a final check that compilation was successful, you may want to run the examples (presently only one). See the general documentation for instructions on how to run the examples.

Go to NEB/examples/example01 and execute:

      ./run_example

This will create a subdirectory results/ containing the input and output files generated by the calculation.

The reference/ subdirectory contains verified output files, that you can check your results against. The exact numbers depend upon the hardware, software stack, execution mode: tiny differences are not a problem, but a plain diff of your results against the reference data doesn't work, or at least, it requires human inspection.