ARTS & SCIENCES COMPUTINGBuilding Software
Users can build and install software in any directory which they have permissions to do so.
Python Environments
Users are permitted to create and maintian custom python environments within any directories which they have write permissions. For further details on managing environments within the Anaconda Distribution, please consult this page: https://docs.conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html.
Requesting Cluster-wide Software
Cluster-wide software installation requests can be sent to .
Available Cluster-wide Software
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 |
Anaconda/2019.10 |
Anaconda Distribution (Environments: python27, python35, python38, r-3.6) |
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 |
|
Gurobi |
gurobi |
Mathematical software |
|
Stata |
stata |
Statistical software |