Software and Libraries

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

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`
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`
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`

Software	Version	Comments	Command/Library	Module Name
MPE			`-lmpe`	`mpe`