Compilers
GNU Compiler collection, gcc, gfortran etc. Default is gcc
version 4.4.7
Higher gcc version 4.8.2 is available for compilation by
setting
$ scl enable devtoolset-2 bash then use the newer gcc
version for compilation by default.
Intel compilers, icc, ifort they can be accessed setting the environment variable using the command source
/opt/soft/share/intel/bin/compilervars.sh intel64 or you
may add this line to the end of your ~/.bashrc file
source /opt/soft/share/oneapi/compiler/latest/env/vars.sh
intel64 to .bashrc or executing on the terminal compile the code with icc nameprogram.c -o nameprogram -qopenmp
Parallel Environments and compilers CUDA
nvcc: NVIDIA (R) Cuda compiler driver
Cuda compilation tools, release 8.0, V8.0.61
export PATH=$PATH:/opt/soft/share/cuda-8.0/bin
for accessing cuda compiler
MPI
There are few choices of mpi, please select appropriate environment.
The MPI installation directory is /opt set appropriate path for accessing parallel libraries
for example
export PATH=$PATH:/opt/soft/share/openmpigcc/bin
will set your MPI directory to openmpi compiled with Intel compiler
other choices are
/opt/soft/share/mpichgcc/bin
Software
MATLAB – The software matlab which is purchased by IIT Mandi is available in the cluster from the location
/opt/soft/share/matlab/bin
you may edit your .bashrc file to add line
export PATH=$PATH:/opt/soft/share/matlab/bin
which add this path permanently to your account.
Please let me know you have any difficulty in running matlab using job submission file. You may use full path to matlab
/opt/soft/share/matlab/bin/matlab
in submission scripts
SAGE – compiled using Intel Compilers located at /opt/sage-4.7.2-linux-64bit
NAMD located at /opt/NAMD_CVS-2012-01-16_Linux-x86_64
GROMACS located at /opt/bio/gromacs —-using gnu compiler /opt/icr/gromacs-4.5.3 —–using intel compiler
OpenFOAM, LAMMPS ,Python, Matlab, LIGGGHTS are also available at /opt/soft/share/
Singularity containers can also be launched on the cluster from /opt/soft/share/singularity/bin/
ANSYS 22R2 can also be launched on the cluster from /opt/soft/share/Ansys22R2 (Read Me
Please note that we do not take requests for software installation on the cluster. We encourage you to develop your own Singularity containers (similar to dockers) on your local machine and use them to launch your software on the HPC cluster. Please see the Singularity documentation for further details.
Scheduler
Torque (updated openPBS)/MAUI