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A Parallel and Distributed SPH Implementation Based on the FleCSI

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Introduction

FleCSPH is a multi-physics compact application that exercises FleCSI parallel data structures for tree-based particle methods. In particular, FleCSPH implements a smoothed-particle hydrodynamics (SPH) solver for the solution of Lagrangian problems in astrophysics and cosmology. FleCSPH includes support for gravitational forces using the fast multipole method (FMM). Currently, particle affinity and gravitation is handled using the parallel implementation of the octree data structure provided by FleCSI.

We provide several examples of physics problems in 1D, 2D and 3D:

  • Sod shock tubes in 1D/2D/3D;
  • Noh shock test in 2D/3D;
  • Sedov blast waves 2D and 3D;
  • airfoil flow in a wind tunnel (2D/3D);
  • pressure-induced spherical implosion (2D/3D);
  • single and binary stars with Newtonian gravity in 3D.

Building FleCSPH with Spack

FleCSPH can now be installed as a Spack package:

  • Download spack at: github.com/spack/spack
  • Follow installation instructions
  • Use the following command to install module support for spack and load the module. The second line can be added in your bash_profile.sh
spack install lmod
. $(spack location -i lmod)/lmod/lmod/init/bash
  • Run:
spack install flecsph 

This will build all the dependencies, compile and install FleCSPH. In order to use FleCSPH executables simply run:

spack load flecsph 

You will then have access to the generators and the drivers:

  • sodtube_{1-2-3}d_generator, sedov_{2-3}d_generator...
  • hydro_{1-2-3}d, newtonian_3d...

You can access to pre-configured parameter files and examples by downloading this repository:

git clone --recursive git@github.com:laristra/flecsph.git
cd flecsph

Sample parameter files and the intial data can be found in the data subdirectory.

For the developper guideline, please refer to this page: Development Guidelines

Building FleCSPH manually

Below we assume that FleCSPH is installed in FLECSPH root directory ${FLECSPH_ROOT}.

Suggested directory structure

We recommend to use an isolated installation of FleCSPH and FleCSI, such that the software and all the dependencies in a separate directory, with the following directory structure:

  ${FLECSPH_ROOT}
  ├── flecsi
  │   └── build
  ├── flecsph
  │   ├── build
  │   └── third-party-libraries
  └── local
      ├── bin
      ├── include
      ├── lib
      ├── lib64
      └── share

All the build happens in build subdirectories, and compiled dependencies are installed in local subdirectory. Make sure to set your CMAKE prefix to this location:

% export CMAKE_PREFIX_PATH=${FLECSPH_ROOT}/local

Prerequisites

You will need the following tools:

  • C++17 - capable compiler, such as gcc version >= 7;
  • git version > 2.14;
  • MPI libraries;
  • cmake version >= 3.15;
  • boost library version > 1.59;
  • Python version >= 3.6.
  • HDF5 compiled with parallel flag version > 1.8
  • GSL library

FleCSI

Clone FleCSI repo at the stable/flecsph branch. Checkout submodules recursively, then configure as below:

   export CMAKE_PREFIX_PATH=${FLECSPH_ROOT}/local
   cd ${FLECSPH_ROOT}
   git clone --recursive git@github.com:laristra/flecsi.git
   cd flecsi
   git checkout stable/flecsph
   git submodule update --recursive
   mkdir build ; cd build
   cmake .. \
       -DENABLE_OPENMP=OFF \
       -DCXX_CONFORMANCE_STANDARD=c++17 \
       -DENABLE_METIS=ON \
       -DENABLE_PARMETIS=ON \
       -DENABLE_COLORING=ON \
       -DENABLE_DEVEL_TARGETS=ON \
       -DENABLE_LOG=ON           \
       -DFLECSI_RUNTIME_MODEL=mpi

In this configuration, FleCSI is installed with the MPI backend.

Build as a final step:

% make -j

FleCSPH

Clone FleCSPH git repo:

   cd ${FLECSPH_ROOT}
   git clone --recursive git@github.com:laristra/flecsph.git

Building FleCSPH

Configure and build commands:

   # in ${FLECSPH_ROOT}/build:
   export CMAKE_PREFIX_PATH=${FLECSPH_ROOT}/local
   cmake .. \
       -DCMAKE_BUILD_TYPE=debug \
       -DENABLE_UNIT_TESTS=ON   \
       -DENABLE_DEBUG=OFF       \
       -DLOG_STRIP_LEVEL=1
   make -j
   make install

Building FleCSPH on various architectures

Architecture-/machine-specific notes for building FleCSPH are collected in doc/machines. If you succeeded in compiling and running FleCSPH on new architectures, please do not hesitate to share your recipe. We appreciate user contributions.

Running FleCSPH applications

Current FleCSPH contains several initial data generators and two evolution drivers: hydro and newtonian. Initial data generators are located in app/id_generators/:

  • sodtube: 1D/2D/3D sodtube shock test;
  • sedov: 2D and 3D Sedov blast wave;
  • noh: 2D and 3D Noh implosion test.
  • etc.

Evolution drivers are located in app/drivers:

  • hydro: 1D/2D/3D hydro evolution without gravity;
  • newtonian: 3D hydro evolution with self-gravity.

To run a test, you also need an input parameter file, specifying parameters of the problem. Parameter files are located in data/ subdirectory. Running an application consists of two steps:

  • generating initial data;
  • running evolution code.

For instance, to run a sodtube 1D shock test, do the following (assuming you are in your build directory after having successfully built FleCSPH):

  cp ../data/sodtube_t1_n1000.par sodtube.par
  # edit the file sodtube.par to adjust the number of particles etc.
  app/id_generators/sodtube_1d_generator sodtube.par
  app/driver/hydro_1d sodtube.par

Our wiki page contains more examples that you may want to try.

Creating your own initial data or drivers

You can add your own initial data generator or a new evolution module under app/id_generators or app/drivers directories. Create a directory with unique name for your project and modify CMakeLists.txt to inform the cmake system that your project needs to be built.

A new initial data generator usually has a single main.cc file and an optional include file. You can use existing interfaces for lattice generators or equations of state in the include/ directory. The file app/drivers/include/user.h defines the dimensions of your problem, both for initial data generators and for the evolution drivers. This is done via a compile-time macro EXT_GDIMENSION, which allows users to have the same source code for different problem dimensions. Actual dimension is set at compile time via the target_compile_definitions directive of cmake, e.g.:

   target_compile_definitions(sodtube_1d_generator PUBLIC -DEXT_GDIMENSION=1)
   target_compile_definitions(sodtube_2d_generator PUBLIC -DEXT_GDIMENSION=2)

A new evolution driver must have a main.cc and main_driver.cc files. Do not edit main.cc, because FleCSI expects certain format of this file. It is easier to start by copying existing files to your folder under app/drivers. Include cmake targets with different dimensions using examples in app/drivers/CMakeLists.txt.

Make sure to document your subproject in a corresponding README.md file that describes the problem you want to run. In order to get all files easily and correctly, you can copy them from other subprojects such as sodtube or hydro.

For developers

Please refer to the following page: Development Guidelines

Logs

In the code, you can set the level of output from trace(0) and info(1) to warn(2), error(3) and fatal(4). You can then control the level of output at compile time by setting the flag LOG_STRIP_LEVEL: by default it is set to 0 (trace), but for simulations it is perhaps preferrable to set it to 1 (info).

  log_one(trace) << "This is verbose output  (level 0)" << std::endl;
  log_one(info) << "This is essential output (level 1)" << std::endl;
  log_one(warn) << "This is a warning output (level 2)" << std::endl;
  log_one(fatal) << "Farewell!" << std::endl;

For further details, refer to the documentation at: Cinch: Logging

Contacts

If you have any questions or concerns regarding FleCSPH, please contact us via the mailing list flecsph-support@lanl.gov