NCL (The NCAR Command Language), is a free interpreted language designed specifically for scientific data processing and visualization. It is a product of the Computational & Information Systems Laboratory at the National Center for Atmospheric Research (NCAR) and sponsored by the National Science Foundation. NCL has robust file input and output: it can read and write netCDF-3, netCDF-4 classic, HDF4, binary, and ASCII data, and read HDF-EOS2, GRIB1, and GRIB2.
We have updated the default module of ANSYS on both Oakley and Glenn. The default module of ANSYS is ANSYS 14.5.7 on Oakley and ANSYS 14.5 on Glenn. For example, if you use
module load ansys on Oakley, ANSYS 14.5.7 (instead of ANSYS 13.0) is loaded. We however keep the older versions of ANSYS installed on our cluster.
We have updated the default module of FLUENT on both Oakley and Glenn. The default module of FLUENT is FLUENT15.0.7 on Oakley and FLUENT 14.5 on Glenn. For example, if you use
module load fluent on Oakley, FLUENT 15.0.7 (instead of FLUENT 13.0) is loaded. We however keep the older versions of FLUENT installed on our cluster.
We have updated pbsdcp to fix a rare bug seen with certain MPI libraries.
Star-CCM+ 8.06.007-R8 has been installed on Oakley, and is available by loading the module starccm/8.06.007.
Q-Chem is a general purpose ab initio electronic structure program. Its latest version emphasizes Self-Consistent Field, especially Density Functional Theory, post Hartree-Fock, and innovative algorithms for fast performance and reduced scaling calculations. Geometry optimizations, vibrational frequencies, thermodynamic properties, and solution modeling are available.
Boost 1.56.0 has been installed on Oakley and is available by loading module boost. For information on compiling and linking with boost libraries, please refer to the software page.
Boost is a set of C++ libraries that provide helpful data structures and numerous support functions in a wide range of aspects of programming, such as, image processing, gpu programming, concurrent programming, along with many algorithms. Boost is portable and performs well on a wide variety of platforms.
Amber 14 has been installed on Oakley and Glenn; usage is via the modules amber/14 on Oakley and amber14 on Glenn. For information on available executables and installation details see the software page for Amber or the output of the respective module help command, e.g.: module help amber/14