Example: Performance Comparison Using (Camphor)\ :sub:`10`
--------------------------------------------------------------

.. tip::
    The sample input and output files can be found in ``testfiles/rigidmol/5-camphor10``.

This section is used to convince you that the computational efficiency of ``rigidmol`` is improved significantly since ABCluster 3.2 due to the use of new energy evaluation algorithm.

We consider a cluster of a large organic molecule camphor, the parameter file of which being ``camphor.xyz``. The input and cluster file are:

.. code-block:: bash
    :linenos:
    :caption: mol.inp

    mol.cluster       # cluster file name
    20                # population size
    20                # maximal generations
    3                 # scout limit
    10.00000000       # amplitude
    mol               # save optimized configuration
    30                # number of LMs to be saved    

.. code-block:: bash
    :linenos:
    :caption: mol.cluster

    1
    camphor.xyz 10
    * 20.0000

You can run the following command to do the global optimization of :math:`(\mathrm{Camphor})_{10}`:

.. code-block:: bash

    $ rigidmol mol.inp > mol.out

On a computer with 96 Intel(R) Xeon(R) Gold 6248R CPU @ 3.00GHz cores, the performance is:

.. list-table::
   
   * - Version
     - rigidmol 3.1
     - rigidmol 3.2
   * - Computational Time
     - 3361 seconds
     - 573 seconds

The performance of ``rigidmol`` is indeed improved significantly. This improvement applies to **clusters of all sizes.**