cp2k

  • About: program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems
  • Category: Chemistry
  • URL: http://www.cp2k.org
module (bold = default) build dependencies
cp2k/2.5.1/b1 intel 2014.1.046 impi/4.1.3.048
cp2k/2.5.1/b2 intel 2014.1.046/cuda 6.5 impi/4.1.3.048 cuda/6.5
cp2k/2.6.2/b1 intel 2014.1.046/cuda 7.5 impi/4.1.3.048 cuda/7.5
cp2k/3.0/b1 intel 2014.1.046/cuda 6.5 impi/4.1.3.048 cuda/6.5
cp2k/3.0/b2 intel 2014.1.046 impi/4.1.3.048

also see Using Software.