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Software & Tools

The HPC system at Tribhuvan University provides a diverse range of software tools and libraries to support research in computational physics, AI, molecular dynamics, and high-performance computing applications. The software environment is managed using environment modules, allowing users to load specific software versions as needed.

Available Software & Modules

Users can view the available software modules using the following command: 

module avail
The following software and tools are currently installed on TU HPC:

1. Compilers & Development Tools

  • Intel Compiler (icc, ifort): intel/2022.2, intel/2013
  • GNU Compiler Collection (GCC): gnu/5.4.0, gnu/8.3.0
  • LLVM Compiler Infrastructure: compiler-rt/2022.0.2
  • CUDA Toolkit: cuda/10.2, cuda/11.2
  • OpenCL Development Tools: oclfpga/2022.0.2
  • CMake: cmake/3.15.4

2. Mathematical Libraries

  • FFTW (Fast Fourier Transform): fftw/3.3.10, fftw/3.3.10_Intel
  • LAPACK (Linear Algebra Package): lapack/3.10.0
  • Intel MKL (Math Kernel Library): mkl/2013, mkl/2022.0.2
  • TBB (Threading Building Blocks): tbb/2021.5.1

3. Scientific & HPC Applications

  • Quantum Espresso (QE): qe/7.0, qe/7.0-gpu, qe/7.2
  • FPLO (Full-Potential Local-Orbital Code): fplo/18.52
  • GROMACS (Molecular Dynamics): gromacs/2019.6, gromacs/2019.6-gpu
  • NAMD (Molecular Dynamics): namd/2.14
  • Thermo_pw (Quantum Thermodynamics): thermo_pw/1.7.0

4. Parallel Computing & MPI Implementations

  • OpenMPI: openmpi/4.1.0, openmpi/4.1.2_Intel, openmpi/2022.2
  • Intel MPI: impi/4.1.3
  • PMIx (Process Management Interface for Exascale Computing): pmix/2.2.2

5. Python & AI Frameworks

  • Python: python/3.10.12, python/3.12.7
  • Debugger & Profiling Tools: debugger/2021.5.0
  • Data Parallel C++ Toolkit (DPC++): dpct/2022.0.0
  • Data Parallel Library (DPL): dpl/2021.6.0

Using Modules on TU HPC

To use any software, load the corresponding module using: 

module load <module-name>
For example, to load Python 3.12.7: 
module load python/3.12.7
To check currently loaded modules: 
module list
To unload a module: 
module unload <module-name>

Software Installation Requests

If users require additional software, they can request installations by contacting HPC support.

For more information on using software efficiently, visit the HPC User Guide.

Optimized software environment for high-performance computing! 🚀