SOFTWARE RESOURCES

Compilers: Intel Parallel Studio XE, PGI Community Edition, GNU Compiler Collection, and NVIDIA Cuda.
MPI: Intelmpi, Openmpi.
Libraries: atlas, boost, fftw, hdf5, hypre, metis, mkl, nfft and plumed.
Applications: Amber20, AmberTools21, Gaussian*, OpenMolcas, Molcas, GROMACS, BAGEL, NAMD, NewtonX-2.x and LICHEM.