Available Software

Available Software

The site provides the list of software applications available at HPC System. To get more information on how to use the software please refer to Software Guide.

Important Notes

  • To get the versions of the software installed in HPC, use the command "module avail". To check the dependency modules such as cmake, boost etc, load the depends module first "module load depends"
  • The path of the executable and libraries of the <software> can be obtained using the comamd "module display <software>"
  • The default binaries/executable (compiler or software) are available at /usr/bin and /usr/local/bin
  • The default libraries are available at /usr/lib, /usr/lib64, /usr/local/lib, /usr/local/lib64
  • In case of specific software, you can install it on your home directory. Check the Software Installation GuideIf it is a generic software and you are having trouble installing it after following the instructions at Software Installation Guide, please contact us at 

Software List


 Browser/ PDF reader
   
Firefox browser
Evince pdf/document reader


 
Text File Editor
Gvim/ VI editor
Emacs
Gedit
Nano
 
Compiler suites (C, C++, Fortran)
Gnu compilers 
Intel compilers 
PGI compilers 
Java
Python
Code Synthesis XSD
 
MPI Versions
openmpi (compiled with gcc)
openmpi-intel (compiled with intel) -> this is the default module
mpich (compiled with gcc)
mpich-intel (compiled with intel)
OpenMP (gnu, intel, pgi)

 
Applications

NAMD
Gromacs
Mathematica(need to install math font on local machines)
Matlab 
R statistical package
Charmm/qchem 
ABINIT
CPMD
Rosetta
Schrodinger
LAMMPS (parallel)
Gaussian 
Neuron
Qhull
Sundials
cmake
qt 
EMAN2
PHYLIP
Desmond
NumPy
OpenMMPreview
Torch 
PEDSYS
Parser
Gadgetron
Siesta
Relion
Mitoseek
Tophat
Plink
SPIDER


Libraries


fftw 
hdf5 
mkl
gnu gsl 
ATLAS  
BLAS
BLACS
LAPACK
ScaLAPACK
CULA
Global Arrays

Python Libraries:
numpy, PyQt4, matplotlib, sip, OpenGL
 
Visualization Software
Gnuplot
ParaView
Visit
VMD


 Debugger

Gnu gdb
Intel idb

GPU Applications

CUDA

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