Commit 61c84580 authored by Alan O'Cais's avatar Alan O'Cais

Merge branch 'dl_meso_dpd_MultiGPU' into 'master'

Module: multi-GPU for DL_MESO_DPD

See merge request e-cam/E-CAM-Library!26
parents b903f524 b5104374
......@@ -64,6 +64,7 @@ The following modules connected to the DL_MESO_DPD code have been produced so fa
./modules/DL_MESO_DPD_onGPU/fftw/readme
./modules/DL_MESO_DPD/check_dlmeso_dpd/readme
./modules/DL_MESO_DPD/tetra_dlmeso_dpd/readme
./modules/DL_MESO_DPD_onGPU/multi_gpu/readme
./modules/DL_MESO_DPD/sionlib_dlmeso_dpd/readme
ESPResSo++
......
################################
Multi-GPU version of DL_MESO_DPD
################################
.. sidebar:: Software Technical Information
The information in this section describes the DL_MESO_DPD GPU versions as a whole.
Language
Fortran/CUDA-C (cuda toolkit 7.5)
Documentation Tool
ReST files
Application Documentation
See the `DL_MESO Manual <http://www.scd.stfc.ac.uk/SCD/resources/PDF/USRMAN.pdf>`_
Relevant Training Material
See `DL_MESO webpage <http://www.scd.stfc.ac.uk/SCD/support/40694.aspx>`_
Licence
BSD, v. 2.7 or later
.. contents:: :local:
Authors: Jony Castagna
This module implements the first version of the D\_MESO\_DPD code with multiple NVidia Graphical Processing Units (GPUs). More details about it can be found in the following sections.
Purpose of Module
_________________
.. Give a brief overview of why the module is/was being created.
In this module the main framework of a multi-GPU version of the DL\_MESO\_DPD code has been developed. The exchange of data between GPUs overlaps with the computation of the forces
for the internal cells of each partition (a domain decomposition approach based on the MPI parallel version of DL\_MESO\_DPD has been followed).
The current implementation is a proof of concept only and relies on slow transfers of data from the GPU to the host and vice-versa. Faster implementations will be explored in future modules.
In particular, the transfer of data occurs in 3 steps: x-y planes first, x-z planes with halo data (i.e. the values which will fill the ghost cells) from
the previous swap and finally the y-z planes with all halos. This avoid the problems of the corner cells, which usually requires a separate communication
reducing the number of send/receive calls from 14 to 6.The multi-GPU version has been currently tested with 8 GPUs and successfully reproduce the same results as a
single GPU within machine accuracy resolution.
Future plans include benchmarking of the code with different data transfer implementations other than the current (trivial) GPU-host-GPU transfer mechanism.
These are: of Peer To Peer communication within a node, CUDA-aware MPI, and CUDA-aware MPI with Direct Remote Memory Access (DRMA).
.. references would be nice here...
Background Information
______________________
This module is part of the DL\_MESO\_DPD code. Full support and documentation is available at:
* https://www.scd.stfc.ac.uk/Pages/DL_MESO.aspx
* https://www.scd.stfc.ac.uk/Pages/USRMAN.pdf
To download the DL\_MESO\_DPD code you need to register at https://gitlab.stfc.ac.uk. Please contact Dr. Micheal Seaton at Daresbury Laboratory (STFC) for further details.
Testing
_______
The DL\_MESO code is developed using git version control. Currently the GPU version is under a branch named ``add_gpu_version``. After downloading the code, checkout the GPU branch and look into the ``DPD/gpu_version`` folder, i.e:
.. code-block:: bash
git clone https://gitlab.stfc.ac.uk/dl_meso.git
cd dl_meso
git checkout gpu_version
cd ./DPD/gpu_version
make all
To compile and run the code you need to have installed the CUDA-toolkit (>=8.0) and have a CUDA enabled GPU device (see http://docs.nvidia.com/cuda/#axzz4ZPtFifjw). For the MPI library the OpenMPI 3.1.0 has been used.
The current version has been tested ONLY for the ``Mixture_Large`` test case available in the ``DEMO/DPD`` folder. To run the case, compile the code using the ``make all`` command from the ``bin`` directory, copy the ``FIELD`` and ``CONTROL`` files in this directory and run ``./dpd_gpu.exe``.
Attention: the ``HISTORY`` file produced is currently NOT compatible with the serial version, because this is written in the C binary data format (Fortran files are organised in records,
while C are not. See https://scipy.github.io/old-wiki/pages/Cookbook/FortranIO.html).
However, you can compare the ``OUTPUT`` and the ``export`` files to verify your results. For more details see the ``README.rst`` file in the ``gpu_version`` folder.
Performance
___________
A test case a two phase mixture separation with 1.8 billion particles has been used and run for 100 time steps without IO operations.A weak scaling efficiency (:math:`\eta`) plot up to 512 GPUs (1.2 billion particles) is presented below. This plot is obtained by taking the ratio between the wall time for the GPU count and a reference walltime of two GPUs (the singleGPU version uses a non-scalable, faster, alternative implementation which would skew the results). As can be seen, the result (:math:`\eta*GPUs`) oscillates near perfect scalability.
.. image:: ./DL_MESO_GPU_WeakScaling.png
:width: 90 %
:align: center
Strong scaling results are obtained using 1.8 billion particles for 256 to 2048 GPUs. Results show very good scaling, with efficiency always above 89% for 2048 GPUs (note that 2048 P100 GPUs on PizDaint is equivalent to almost 10 Petaflops of raw double precision compute performance).
.. image:: ./DL_MESO_GPU_StrongScaling.png
:width: 90 %
:align: center
Examples
________
See the ``Mixture_Large`` case in the DL\_MESO manual.
Source Code
___________
.. link the source code
This module has been merged into DL\_MESO code. It is composed of the
following commits (you need to be registered as collaborator):
* https://gitlab.stfc.ac.uk/dl_meso/dl_meso/commit/7f3e7abe7bb1c8010dd6a5baa0de4907ffe2f003
.. IF YOUR MODULE IS A SEPARATE REPOSITORY
.. The source code for this module can be found in: URL.
.. CLOSING MATERIAL -------------------------------------------------------
.. Here are the URL references used
.. _nose: http://nose.readthedocs.io/en/latest/
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