Commit 2fb7ae55 authored by Andrew Emerson's avatar Andrew Emerson
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parent ff277f05
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## 1. Introduction
The GPU-enabled version of Quantum Espresso (known as QE-GPU) provides
GPU acceleration for the Plane-Wave Self-Consistent Field (PWscf)
code and energy barriers and reaction pathways through the Nudged
Elastic Band method (NEB) package. QE-GPU is developed as a sort of
plugin to the main QE program branch and is based on code usually one
or two versions behind the main program version. Note that in the
accelerated benchmark suite, *version 5.4* has been used for QE-GPU
whereas the latest release version of the main package is 6.0.
QE-GPU is developed by Filippo Spiga and the download and build
instructions for the package are given here [1] if the packages is not
already available on your system.
The GPU port of Quantum Espresso is a version of the program which has been
completely re-written in CUDA FORTRAN by Filippo Spiga. The version program used in these
experiments is v6.0, even though further versions becamse available later during the
## 2. Requirements
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