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, openblas, scalapack, clapack, nfft and plumed.
Applications: Amber20, AmberTools21, Abinit, Gaussian09, Gaussian16, OpenMolcas, Molcas, Molden, Jmol, Gnuplot, GROMACS, BAGEL, NAMD, VMD, ORCA, Quantum-Espresso, NWChem, NewtonX-2.x, Tinker and LICHEM.