Skip to content

asavonic/moldynam

Repository files navigation

moldynam

Molecular dynamic project

TODO

Common:

  • Area split (24h)
  • binary traces (1h)
  • Windows build (8h)

Visualizer:

  • trace rewind forward/backward (1h)
  • trace speed (1h)
  • particle color from velocity (2h)

Optimization:

  • Native with OMP (port to platforms) (3h)
  • Native with TBB (5h)
  • OpenCL: avoid global barrier after each iteration (?)
  • MPI: depends on area split (8h)

Code cleanup

  • Move old code to reference directory and use it only it tests (3h)

Requirements

C++ compiler with C++11 support
Boost
Python (optional)

How to get sources

git clone https://github.com/asavonic/moldynam.git
cd moldynam
git submodule update --init --recursive

How to build

Linux:
Debian: apt-get install g++ cmake libglew-dev libxrandr-dev libxi-dev libxxf86vm-dev

cd moldynam
mkdir build
cd build
cmake ..
make install

or you can build it with python script automatically

export MD_ROOT=<path to moldynam root>
python $MD_ROOT/__env/mkbuild.py

Windows:
MSVS2012 or higher required for build.

If you already have Boost installed then specify path to it in BOOST_ROOT variable for CMake
If not, see Build Boost on Windows section

Build Boost on Windows

Download and unpack the latest version: http://www.boost.org/users/download/
Go to this unpacked directory and run:
bootstrap
b2 variant=release,debug link=static runtime-link=static stage

About

Molecular dynamic project

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published