software stack

System Software

• Red Hat Enterprise Linux 7.6
• HPE Performance Cluster Manager Administration Tool(HPCM)
• Lustre File System (PFS)
• PBS Pro
• Intel Cluster Studio
• HPE Storage Manager

Computer Simulation Software

Below is an overview of installed software on Aqua.

Text File Editor	Compilers	Parallel Computing Frameworks
Gvim/ VI editor Emacs Gedit	Gnu compilers 4.3.4 Intel compilers 2017 Javac 1.7.0 Python 2.7/2.7.3 Cmake 3.8 Perl 5.10.0	openmpi mpich Intel-mpi

Research Software Package

Commercial Software	Scientific Libraries
Gromacs 2016 Ansys 18.1 Amber 11,12 Abaqus 2018 Fluent 18.1 Comsol 5.3a Mathematica 11.3 Matlab 2018a Gaussian 16	FFTW -3.3.2 HDF5 MKL GNU Scientific Library BLAS LAPACK LAPACK++

Open Source Software	Interpreters and Runtime Environments
NAMD 2.9 OpenFoam Scilab	Java 1.7.0 Python 2.7/2.7.3 Numpy 1.6.1

Visualization Software	Debugger
Gnuplot 4.0	Gnu gdb Intel idb

Compilers & Tools

Compilers

• Intel C++ Compiler 10.1
• Intel Fortran Compiler 10.1

Libraries

• Intel Cluster OpenMPI for Intel Compilers for Linux
• Intel MPI Library 3.1
• Intel Math Kernel Library 10.0
• GSL and GSLCBLAS Library
• IT++ 4.0.6

Tools

• Intel Trace Analyzer and Collector 7.1
• Intel MPI Benchmarks 3.1
• Intel Debugger 10.1

If there is any software missing on this list that you would like to have installed on Aqua, or you need help to install your own software, please feel free to contact us: hpce@iitm.ac.in.