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e-cam
E-CAM-Library
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ebb706fb
Commit
ebb706fb
authored
Apr 23, 2021
by
Alan O'Cais
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Update Classical-MD-Modules/modules/2spaces_on_gpu/readme.rst
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@@ -12,7 +12,7 @@
`MIT <https://opensource.org/licenses/mit-license>`_
Documentation Tool
d
oxygen
D
oxygen
Application Documentation
'https://gitlab.com/pcarrivain/2spaces_gpu/-/blob/master/latex/refman.pdf'
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@@ -32,24 +32,24 @@ E-CAM 2spaces_on_gpu module
.. contents:: :local:
The 2spaces_on_gpu module implements the 2-spaces
algorithm on GPU (see Background
i
nformation section).
algorithm on
a
GPU (see
"
Background
I
nformation
"
section).
This algorithm is designed to move one-half of the polymer
in one Monte-Carlo iteration.
It also preserves the excluded volume constraints.
I wrote a
`OpenCL <https://www.khronos.org/opencl>`_
implementation
to
be used on CPUs or GPUs.
An
`OpenCL <https://www.khronos.org/opencl>`_
implementation
has been written so it can
be used on CPUs or GPUs.
Purpose of Module
_________________
P
olymer of size L is supposed to reach equilibrium
after a time
like
:math:`L^3`.
A p
olymer of size L is supposed to reach equilibrium
after a time
of order
:math:`L^3`.
Therefore, it could be difficult to study the equilibrium
properties of large polymers.
The 2-spaces algorithm
already
improves the efficien
t
of each Monte-Carlo by moving half of the polymer.
We can use the GPU
unit
s to take care one of the sub-move
among st the
Monte-Carlo step.
The 2-spaces algorithm improves the efficien
cy
of each Monte-Carlo
iteration
by moving half of the polymer.
We can use the GPUs to take care
of
one of the sub-move
s
in each
Monte-Carlo step.
It is used in a scientific collaboration (ENS Lyon).
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@@ -65,12 +65,13 @@ for details about the method.
Building and Testing
____________________
I provide a simple make file as well as `OpenCL <https://www.khronos.org/opencl>`_
I provide a simple ``Makefile`` as well as an
`OpenCL <https://www.khronos.org/opencl>`_
kernel and main source code to run the model.
You need C++11 in order to use pseudo-random number generator.
Before the compilation you can clean the previous build
with
"
make mrproper
"
command.
Details about build, test and run
are
available
o
n the
with
the ``
make mrproper
``
command.
Details about build
ing
, test
ing
and run
ning the code is
available
i
n the
`2spaces_on_gpu GitLab repository <https://gitlab.com/pcarrivain/2spaces_gpu>`_.
Source Code
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