GPC Supported Software

  • Faculty & Staff

The following is a list of the cluster-wide software that is currently available on GPC:

 

Development Tools

 

Module

Description

GCC

gcc/5.1.0

GNU C/C++ and Fortran Compilers

GDB

gdb/7.9

GNU Debugger

GIT

git/2.7.4

Distributed version control system

Python

python/anaconda/2.7

Anaconda Python 2.7

 

python/anaconda/3.5

Anaconda Python 3.5

 

 

 

Libraries

 

Module

Description

ArrayFire

ArrayFire

High performance parallel computing API for CPUs/GPUs

BLACS

blacs/openmpi/gcc

Linear algebra library with OpenMPI support

BLAS

blas/gcc

Linear algebra library

FFTW2

fftw2/openmpi/gcc/64/double

Discrete Fourier Transform library (Double Precision)

 

fftw2/openmpi/gcc/64/float

Discrete Fourier Transform library (Single Precision)

FFTW3 

fftw3/openmpi/gcc

Discrete Fourier Transform library

GlobalArrays

globalarrays/openmpi/gcc

Library for accessing shared-memory from distributed-memory jobs.

HDF5

hdf5_18

Data Format Library

LAPACK

laack/gcc

High Performance Linear Algebra Library

MPICH

mpich/ge/gcc

High Performance Message Passing Library

MVAPICH

mvapich/gcc   High Performance Message Passing Library

MVAPICH2

mvapich2/gcc  High Performance Message Passing Library 

NetCDF

netcdf/gcc  Data Format Library 

OPENMPI

openmpi/gcc  High Performance Message passing Library 

ScaLAPACK

scalapack/gcc  High Performacne Linear Algebra Library for Distributed Systems 

 

  

 

Scientific Software

 

Module

Description

Campari

campari

Molecular Modeling Software

GROMACS

gromacs

Molecular Dynamics Package

Macaulay2

macaulay2

System for algebraic geometry and commutative algebra

MAGMA

magma

Mathematics Software

Matlab

matlab

Mathematics Software

NAMD

namd/multicore

Molecular Dynamics Simulation Software (OpenMP)

 

namd/mpi

Molecular Dynamics Simulation Software (OpenMPI)

ORCA

orca

modern electronic structure program (OpenMPI)

NetLogo

netlogo

Agent Simulation Software

PyRosetta

pyrosetta

Python-based Interface to Rosetta

R

R

Statistical Software

SageMath

sage

Mathematics Software

SMALT

smalt

DNA Sequencing

Vowpal Wabbit

vowpal_wabbit

Machine Learning

 

 

Building Software

Users can build and install software in any directory which they have permissions to do so.

 

 

Requesting Cluster-wide Software

 Cluster-wide software installation requests can be sent to .