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The Input File

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Preliminaries

File Formats: XML and HDF5

XML

HDF5

Science: Units, Statistical Mechanics

Testing: Unit Tests, TDD, System Integration Tests

Unit Tests

Unit testing uses GoogleTest. The unit tests are in the pi-qmc/unit-test/ subdirectory, which mirrors the structure of the pi-qmc/src directory.

Each unit test should execute in a few miliseconds, so that the entire suite can be run in a few seconds.

Right now the unit tests are only included in the cmake build.

System Integration Tests

System integration tests are run with python scripts. We use the python unittest module to organize the test cases. These system tests can be run using nosetests, like

nosetests -v –rednose

System integration tests run the pi-qmc executable on real test systems, and can take a few minutes to run.

Parallel Computing

MPI

OpenMP