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2 Compilation

CP is included in the core QUANTUM ESPRESSO distribution. Instruction on how to install it can be found in the general documentation (User's Guide) for QUANTUM ESPRESSO.

Typing make cp from the main QUANTUM ESPRESSO directory or make from the CPV/ subdirectory produces the following codes in CPV/src:

Symlinks to executable programs will be placed in the bin/ subdirectory.

As a final check that compilation was successful, you may want to run some or all of the tests and examples. Please see the general User's Guide for their setup. Automated tests for cp.x are in directory tests/ and can be run via the script check_cp.x.j

You may take the tests and examples distributed with CP as templates for writing your own input files. Input files for tests are contained in tests/ subdirectory with file type *.in1, *.in2, ... . Input file for examples are produced if you run the examples in the results/ subdirectories, with names ending with .in.

For general information on parallelism and how to run in parallel execution, please see the general User's Guide. CP currently can take advantage of both MPI and OpenMP parallelization. The ``plane-wave'', ``linear-algebra'' and ``task-group'' parallelization levels are implemented.


next up previous contents
Next: 3 Input data Up: User's Guide for The Previous: 1 Introduction   Contents
Paolo Giannozzi 2017-10-23