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Crivella committed Mar 9, 2024
1 parent 9a28e58 commit 5074078
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions hpctestlib/sciapps/qespresso/benchmarks.py
Original file line number Diff line number Diff line change
Expand Up @@ -53,20 +53,20 @@ class QEspressoPWCheck(rfm.RunOnlyRegressionTest):
The benchmarks consist of one input file templated inside the code and
a pseudo-potential file that is downloaded from the official repository.
This tests aims at measuring the scalability of the pw.x executable, in
particular the FFT and diagonalization algorithms, by running a simple
silicon calculation with high `ecut` (increases size of FFTs) and `nbnd`
silicon calculation with high `ecut` (increases size of FFTs) and `nbnd`
(increases size of matrices to diagonalize) values."""

#: Parametert to tests the performance of the FFTW algorithm,
#: Parametert to tests the performance of the FFTW algorithm,
#: higher `ecut` implicates more FFTs
#:
#: :type: :class:`int`
#: :values: ``[50, 150]``
ecut = parameter([50, 150], loggable=True)

#: Parameter to Tests the performance of the diagonalization algorithm, higher ecut -> more FFTs
#: Parameter to Tests the performance of the diagonalization algorithm,
#: higher `nbnd` implicates bigger matrices
#:
#: :type: :class:`int`
Expand All @@ -84,7 +84,7 @@ class QEspressoPWCheck(rfm.RunOnlyRegressionTest):
#: :default: ``'Si.scf.in'``
input_name: str = variable(str, value='Si.scf.in')

#: The pseudo-potential file to be used check
#: The pseudo-potential file to be used check
#: https://www.quantum-espresso.org/pseudopotentials/ for more info
#:
#: :type: :class:`str`
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