mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-16 19:13:50 +01:00
63 lines
1.3 KiB
ReStructuredText
63 lines
1.3 KiB
ReStructuredText
|
.. _qp_run:
|
||
|
|
|
||
|
|
======
|
||
|
|
qp_run
|
||
|
|
======
|
||
|
|
|
||
|
|
.. TODO
|
||
|
|
|
||
|
|
.. program:: qp_run
|
||
|
|
|
||
|
|
Command used to run a calculation.
|
||
|
|
|
||
|
|
If the ``USR1`` signal is sent to :ref:`qp_run`, the application will
|
||
|
|
call :ref:`qp_stop` to request a clean termination. In a SLURM script,
|
||
|
|
you can ask SLURM to send the ``USR1`` signal 120 seconds before end of
|
||
|
|
the time limit with ::
|
||
|
|
|
||
|
|
#SBATCH --signal=B:USR1@120
|
||
|
|
|
||
|
|
There is a directory named :file:`work` in the |EZFIO|. This directory
|
||
|
|
will contain work files which can be large, so it is recommended to
|
||
|
|
work in the scratch directory. To archive the |EZFIO| directory, it is
|
||
|
|
recommended to remove the :file:`work` directory.
|
||
|
|
|
||
|
|
Usage
|
||
|
|
-----
|
||
|
|
|
||
|
|
.. code:: bash
|
||
|
|
|
||
|
|
qp_run [-h] [-p <string>] [-s] [--] 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
|
||
|
|
|
||
|
|
|