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https://github.com/LCPQ/quantum_package
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52 lines
840 B
ReStructuredText
52 lines
840 B
ReStructuredText
.. _qp_run:
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======
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qp_run
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======
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.. TODO
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.. program:: qp_run
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Command used to run a calculation.
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Usage
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-----
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.. code:: bash
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qp_run [-h|--help] [-p <string>|--prefix=<string>] [-s|--slave] [--]
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PROGRAM EZFIO_DIR
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``PROGRAM`` is the name of the |QP| program to be run, and ``EZFIO_DIR`` is
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the name of the |EZFIO| directory containing the data.
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.. option:: -h, --help
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Displays the list of available |qp| programs.
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.. option:: -p <string>, --prefix=<string>
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Prefix before running the program. This option is used to run programs like
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like gdb or valgrind.
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.. option:: -s, --slave
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This option needs to be set to run a slave job for ``PROGRAM``, to accelerate
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another running instance of the |qp|.
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Example
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-------
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.. code:: bash
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qp_run fci h2o.ezfio &
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srun qp_run --slave fci h2o.ezfio
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wait
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