Software and Libraries

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GPC Software

All the software listed on this page is accessed using a modules system.

To use particular software just load the module (the last column in the following table) as follows.

module load module_name_here


For a full list of available software packages that may be accesses with the modules system, use the command

module avail

For a list of the currently loaded modules in your shell, use the command

module list

For a description of a particular module, use the command

module help module_name_here


Software Version Comments Command/Library Module Name
Intel Compiler 11.1 icpc,icc,ifort, includes MKL library intel
GCC Compiler 4.4.0 gcc,g++,gfortran gcc
IntelMPI 3.2.2 mpicc,mpiCC,mpif77,mpif90 intelmpi
OpenMPI 1.3.3 mpicc,mpiCC,mpif77,mpif90 openmpi
MVAPICH2 1.4 mpicc,mpiCC,mpif77,mpif90 mvapich2
Emacs 23.1 New version of popular text editor emacs emacs
Git 1.6.3 Revision control system git,gitk git
Valgrind 3.4.1 Memory checking utility valgrind,cachegrind valgrind
grace 5.22.1 Plotting utility xmgrace graphics
Gnuplot 4.2.6 Plotting utility gnuplot graphics
VMD 1.8.6 Visualization and analysis utility vmd vmd
ferret 6.4 Plotting utility ferret ferret
netCDF + udunits 4.0.1 + 2.1.8 Scientific data storage and retrieval ncdump,ncgen,libnetcdf,libudunits2 netcdf
NCO 3.9.9 NCO utilities to manipulate netCDF files ncap, ncap2, ncatted, etc. nco
HDF4 4.2r4 Scientific data storage and retrieval h4fc,hdiff,...,libdf,libsz hdf4
HDF5 183-v18 Scientific data storage and retrieval, parallel I/O h5ls, h5diff, ..., libhdf5 hdf5
gsl 1.13 GNU Scientific Library libgsl, libgslcblas gsl
fftw 3.2.2 fftw fast Fourier transform library libfftw3 fftw
GAMESS (US) January 12, 2009 R3 General Atomic and Molecular Electronic Structure System rungms gamess
AMBER 10 Amber 10 + Amber Tools 1.3 Amber Molecular Dynamics Package sander, sander.MPI amber10
ncl/ncarg 5.1.1 NCARG graphics and ncl utilities ncl ncl
PETSc Portable, Extensible Tolkit for Scientific Computation (PETSc) libpetsc, etc.. petsc
extras Full set of X11 libraries and others not installed on compute nodes libXaw,...,libjpeg extras
Matlab/IDL/Commercial software Little to none. See the FAQ

TCS Software

Software Version Comments Command/Library Module Name
antlr 2.7.7 ANother Tool for Language Recognition antlr, antlr-config
libantlr, antlr.jar, antlr.py
antlr
gsl 1.13 GNU Scientific Library libgsl,libgslcblas gsl
HDF4 4.2r4 Scientific data storage and retrieval h4fc,hdiff,...,libdf,libsz hdf4
mpe 2 1.0.6 Performance Visualization for Parallel Programs -lmpe mpe
netCDF + ncview 4.0.1 Scientific data storage and retrieval ncdump,ncgen,libnetcdf, ncview netcdf
NCL 5.1.1 NCAR Command Language ncl
libncl, ...
ncl
NCO 3.9.6 NCO utilities to manipulate netCDF files ncap, ncap2, ncatted, etc. nco
parallel netCDF 1.1.0 Scientific data storage and retrieval using MPI-IO libpnetcdf.a parallel-netcdf
scalasca 1.2 SCalable performance Analysis of LArge SCale Applications scalasca, ... scalasca
upc 1.2 Unified Parallel C xlupc upc
extras Adds paths to a fuller set of libraries to your user environment
compile with -I$SCINET_EXTRAS_INC
libfftw, libfftw_mpi, libfftw3, libhdf5, liblapack, ... extras