Free Tier - Software

The current Unix (Linux) version on a cluster node can be retrieved with the following command:

cat /etc/redhat-release

The command 'uname -a' returns the version and release of the Unix kernel.

For equivalent info along with specification of the version of the installed gcc (GNU Compiler Collection), type:

cat /proc/version


The table below shows software already installed on the cluster system-wide. The last two columns in it indicate whether the corresponding software is available on a given type of Free Tier node.

The list may be partial and not totally up-to-date at any given time. Use one of the following commands to verify whether unlisted software/packages can be found on Free Tier otherwise:

module avail

rpm -qa <packageName>

locate <name>

Name

Version

Location / Module

RPM / files

Category

anaconda 2 2019.03

python 2.7.16

module load anaconda/2-2019.03

/rigel/opt/anaconda2-2019.03

Python for Scientific Computing

anaconda 3 2021.11

python 3.9.7

module load anaconda/3-2021.11

/rigel/opt/anaconda3-2021.11

Python for Scientific Computing

cuda

11.2.2

module load cuda11.2/toolkit

/cm/shared/apps/cuda11.2.2/toolkit

GPU Computing

cudnn8.0module load cudnn8.0-cuda11.2/cm/shared/apps/cudnn8.0-cuda11.2CUDA Deep Neural Network 

cudnn

8.1

module load cudnn8.1-cuda11.2

/cm/shared/apps/cudnn8.1-cuda11.2

CUDA Deep Neural Network 

deal.ii

8.4.0

module load deal.II/8.4.0

/rigel/opt/deal.II

Library - Scientific

fftw2

2.1.5

module load fftw2/openmpi/gcc/64/double/2.1.5

/cm/shared/apps/fftw/openmpi/gcc/64/2.1.5/double

Library - Scientific

fftw3

3.3.4

module load fftw3/openmpi/gcc/64/3.3.4

/cm/shared/apps/fftw/openmpi/gcc/64/3.3.4

Library - Scientific

gcc

10.3.0

module load gcc/10.3.0

/bin/gcc

Compiler - C, C++

gcc

4.8.5

module load gcc/4.8.5

/bin/gcc

Compiler - C, C++

git

1.8.3.1

/usr/bin/git

/usr/bin/git

Revision control

gromacs

5.1.4

module load gromacs/5.1.4-nongpu

/rigel/opt/gromacs-5.1.4-nongpu

Molecular Dynamics

gromacs gpu

5.1.4

/rigel/opt/gromacs-5.1.4

/rigel/opt/gromacs-5.1.4

Molecular Dynamics

gsl

1.15 

/usr/bin/gsl-histogram

/usr/bin/gsl-histogram

Library - Scientific 

idl

8.4

module load idl/8.4

/rigel/opt/exelis/idl84

Library - Scientific

intel-parallel-studio

2020

module load intel-parallel-studio/2020

/rigel/opt/parallel_studio_xe_2020

Intel Compiler

java

1.8.0

module load java/1.8.0

/usr/bin/java

Java

knitro

13.2.0

module load knitro/13.2.0

/rigel/opt/knitro-13.2.0-Linux-64

Solving large scale nonlinear mathematical optimization problems

matlab

R2019b

module load matlab/2019b

/rigel/opt/matlab/R2019b

Numerical Computing

netcdf-fortran

4.4.4

module load netcdf-fortran/4.4.4

/rigel/opt/netcdf-fortran-4.4.4

Library - Scientific

paraview5.7.0module load paraview/5.7.0/rigel/opt/ParaView-5.7.0/bin/paraviewVisualization 

parallel hdf5

1.8.18

module load hdf5p/1.8.18

/rigel/opt/hdf5p-1.8.18

Library - Scientific

Quantum Espresso

7.1

module load QE/7.1

/rigel/opt/QE/7.1/bin

Computer codes for electronic-structure calculations and materials modeling at the nanoscale

R

4.2.2

module load R/4.2.2

/rigel/opt/R-4.2.2

Programming language

Shrodinger2021-2module load schrodinger/2021-2

/rigel/opt/schrodinger/2021-2

Physics-based computational platform 
Singularity3.2.0module load singularity/rigel/opt/singularity-3.2.0Run Docker-like Containers
spark2.3.2module load spark/2.3.2/rigel/opt/spark-2.3.2Distributed computing
Stata15module load stata

/rigel/opt/stata15

General-purpose Statistical Software

Paraview 5.7.0

If you are using a Mac with XQuartz, starting with Paraview version 5.7.0 in order to access the Mesa 3D Graphics Library you now launch ParaView with an auxilliary executable that sets up library paths so that Mesa is used, e.g., 

paraview-mesa paraview --backend llvmpipe

Otherwise you will run into errors such as:

(   4.099s) [paraview        ]vtkOpenGLRenderWindow.c:761    ERR| vtkXOpenGLRenderWindow (0x4044040): Unable to find a valid OpenGL 3.2 or later implementation. 
Please update your video card driver to the latest version. If you are using Mesa please make sure you have version 11.2 or later and make sure your driver in 
Mesa supports OpenGL 3.2 such as llvmpipe or openswr. If you are on windows and using Microsoft remote desktop note that it only supports OpenGL 3.2 with nvidia 
quadro cards. You can use other remoting software such as nomachine to avoid this issue.

Loguru caught a signal: SIGSEGV
Stack trace:
0       0x2aaaaad03250 /lib64/libc.so.6(+0x35250) [0x2aaaaad03250]
(   4.131s) [paraview        ]                       :0     FATL| Signal: SIGSEGV