mirror of
https://github.com/LCPQ/quantum_package
synced 2024-10-20 06:48:20 +02:00
51 lines
833 B
ReStructuredText
51 lines
833 B
ReStructuredText
.. _qp_run:
|
|
|
|
qp_run
|
|
======
|
|
|
|
.. TODO
|
|
|
|
.. program:: qp_run
|
|
|
|
Command used to run a calculation.
|
|
|
|
Usage
|
|
-----
|
|
|
|
.. code:: bash
|
|
|
|
qp_run [-h|--help] [-p <string>|--prefix=<string>] [-s|--slave] [--]
|
|
PROGRAM EZFIO_DIR
|
|
|
|
``PROGRAM`` is the name of the |QP| program to be run, and ``EZFIO_DIR`` is
|
|
the name of the |EZFIO| directory containing the data.
|
|
|
|
|
|
.. option:: -h, --help
|
|
|
|
Displays the list of available |qp| programs.
|
|
|
|
|
|
.. option:: -p <string>, --prefix=<string>
|
|
|
|
Prefix before running the program. This option is used to run programs like
|
|
like gdb or valgrind.
|
|
|
|
|
|
.. option:: -s, --slave
|
|
|
|
This option needs to be set to run a slave job for ``PROGRAM``, to accelerate
|
|
another running instance of the |qp|.
|
|
|
|
|
|
Example
|
|
-------
|
|
|
|
.. code:: bash
|
|
|
|
qp_run fci h2o.ezfio &
|
|
srun qp_run --slave fci h2o.ezfio
|
|
wait
|
|
|
|
|