Files

The ADF program may generate several output / result files, along with the standard output file. The most important one is TAPE21 (.t21 file), the general result file. TAPE21 contains relevant information about the outcome of the calculation. You may want to store this file somewhere under an appropriate name, for future usage. The meaning of any other files that are produced are explained later in this User's Guide.

Any files produced by the program are generated in the local (working) directory where the calculation runs. If you want to keep them, make sure to move them after the calculation has finished to wherever you want to store them.

Files attached to the job, such as fragment files, are by default also assumed to exist in the local directory. You must take care to move or copy required files to that directory before starting the calculation, or to provide via input adequate information to the program where to find the files. In many cases you can specify a complete path to the file.

Most files that are generated by the program, in particular the standard result file that can be used as a fragment file in other calculations, are binary files. A binary file should usually not be moved from one machine to another, i.e. it may not be readable by another machine than the one that generated the file, unless the two machines are of the same type. The ADF package provides utilities to convert the ADF binary result files from binary to ASCII, and vice versa, so that you don't have to regenerate your fragment libraries when going to another machine. See the Utilities document.