Packages

Packages which can be installed or are already available at LS2 HPC resources include:

• WRF, SATURNE, NEMO, TRIPOLI-4, ELMER, NAMD, BQCD, ESPRESSO, HELIUM, BSIT, CPMD, GADGET, TORB/EUTERPE, CP2K, GROMACS, NS3D, AVBP, PEPC, GPAW, ALYA, OCTOPUS, SPECFEM3D
• FLUENT, LAMMPS, CHROMA, SIESTA, VASP, ECHAM5, GAUSSIAN, GAMESS, CASTEP, RAMSES, AMBER, NWCHEM, MOLPRO, TURBOMOLE, CHARMM, DCA++, CACTUS, SU3_AHIGGS, GENE, FENFLOSS, STAR-CD
• WIEN2K, BLAST, ABINIT, DL-POLY

In the case of Cy-Tera, the following applications/libraries supporting GPUs are especially welcome to be proposed for joint investigation of applicability on the N2070 GPU hardware: AMBER, CUDA-BLASTP, CUDA*, GROMACS, HOOMD, LAMMPS, NAMD, VMD, MAGMA, OpenFOAM A very lengthy list of such applications can be found at: http://www.nvidia.com/object/tesla_computing_solutions.html