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Migrating execution times
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ifilot committed Aug 26, 2023
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Expand Up @@ -39,3 +39,5 @@ examples/data
# Sphinx docs
docs/_build/
docs/userguide/build*
pa_*.txt
sa_*.txt
35 changes: 18 additions & 17 deletions docs/examples.rst
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Expand Up @@ -61,10 +61,26 @@ between the surface and bulk atoms amounts to :math:`\mu_{ij} = 30.8`.
.. figure:: _static/img/similarity_analysis_rh111.png
:align: center

Execution times
***************

To get an impression of typical execution times and the benefit of GPU
acceleration, we refer to the Table as seen below.

.. list-table:: Execution times for the Rh FCC111 example
:widths: 50 50
:header-rows: 1

* - System
- Execution time (averaged)
* - Intel(R) Core(TM) i9-10900K CPU @ 3.70GHz
- 172.58s
* - Intel(R) Core(TM) i9-10900K CPU @ 3.70GHz + RTX 4090
- 90.18s

Co HCP 11-21
------------


The following code is used to run this example::

./build/bramble -p patterns/patterns.json -i src/test/data/POSCAR_Co1121 -o pa_co1121.txt
Expand Down Expand Up @@ -146,7 +162,7 @@ atoms are automatically recognized.

Continuing the study by performing a similarity analysis by running::

./build/bramble -s -i src/test/data/POSCAR_Rh111 -o sa_fcc111.txt
./build/bramble -s -i src/test/data/POSCAR_Co1121 -o sa_fcc111.txt

yields the result as shown in the image below. Comparing the image with the
CNA pattern per atom above, we can readily interpret this result. The light
Expand All @@ -164,19 +180,4 @@ to bulk atoms, :math:`\mu_{ij} \approx 36` is found.
.. figure:: _static/img/similarity_analysis_co1121.png
:align: center

Execution times
***************

To get an impression of typical execution times and the benefit of GPU
acceleration, we refer to the Table as seen below.

.. list-table:: Execution times for the Co HCP 11-21
:widths: 50 50
:header-rows: 1

* - System
- Execution time (averaged)
* - Intel(R) Core(TM) i9-10900K CPU @ 3.70GHz
- 172.58s
* - Intel(R) Core(TM) i9-10900K CPU @ 3.70GHz + RTX 4090
- 90.18s

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