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Jan 20, 2021 3 min read
Installation of Quantum Espresso v7.1 on Snellius supercomputer using CMake and Intel compilers
Install the Quantum Espresso v7.1 on the AMD EPYC using CMAKE and Intel compilers.
Mar 11, 2023 2 min read physics, chemistry
Installation of Quantum Espresso v7.1 on Snellius supercomputer using CMake and Intel compilers
Installation of libXC on Snellius supercomputer
Install the exchange-correlation functional library libXC on the AMD EPYC based supercomputer Snellius using CMAKE and Intel compilers.
Jan 25, 2023 1 min read physics, chemistry
Installation of libXC on Snellius supercomputer
Install and manage Intel oneAPI compiler and component tools using environment modules
Just like HPC clusters, manage intel components using module load commands.
Dec 3, 2021 3 min read computer science, C/C++, fortran, python
Install and manage Intel oneAPI compiler and component tools using environment modules
How to predict size of proposal/wedding ring from a photo
Use this python code to accurately predict the size of the proposal ring from a palm photograph
Oct 17, 2021 1 min read computer science, python
How to predict size of proposal/wedding ring from a photo
How to use Intel oneapi compilers on the Github actions workflow
Run automatic compilation and tests using Intel oneapi compilers on the Github Actions workflow yml
Jul 3, 2021 2 min read computer science, C/C++, fortran, python
Installation of Intel oneAPI suite of compilers on Ubuntu Linux
Install free-to-use Intel compilers and other softwares on ubuntu machines
May 26, 2021 2 min read computer science, C/C++, fortran, python
Create a tag from a particular commit git / github
Create a tag from a particular commit git / github
Apr 4, 2021 1 min read computer science, programming
Create a tag from a particular commit git / github
GPU Programming : Matrix Multiplication using CUDA
Using CUDA Fortran for matrix multiplication
Mar 25, 2021 2 min read computer science, programming, GPU
GPU Programming : Matrix Multiplication using CUDA
GPAW v20 installation on the comet cluster at XSEDE, San Diego
GPAW v20 installation on the comet cluster at XSEDE, San Diego, USA
Feb 21, 2021 2 min read physics, chemistry, python
GPAW v20 installation on the comet cluster at XSEDE, San Diego
CP2K wrap atoms back to the home unit cell in VMD
How to wrap atoms back to the unit cell in VMD
Jun 16, 2020 1 min read chemistry, physics, simulation
CP2K wrap atoms back to the home unit cell in VMD
Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego
Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego, USA
Nov 21, 2019 2 min read physics, chemistry, fortran
Octopus TDDFT code installation on the comet cluster at XSEDE, San Diego
Octopus TDDFT code installation on the XC40 Cray supercomputer
Octopus TDDFT code installation on the XC40 Cray supercomputer in the gnu programming environment
Jul 6, 2017 1 min read physics, chemistry, fortran
Octopus TDDFT code installation on the XC40 Cray supercomputer
GPAW v20 installation on a workstation or desktop
GPAW v20 installation on a standalone machine using Intel compilers
Jun 10, 2017 1 min read physics, chemistry, python
GPAW v20 installation on a workstation or desktop
Installation of AlmaBTE code on desktop or workstation computer
Installation of AlmaBTE (Boltzmann Transport Equations) code for thermal simulation on desktop or workstation computer
Jun 9, 2017 5 min read physics, simulation, C/C++
Installation of AlmaBTE code on desktop or workstation computer
Install ETSF-IO libray on Cray XC40 supercomputer
Install ETSF io library on Cray XC40 supercomputer
Nov 30, 2016 1 min read physics, fortran
Conditional execution of jobs using PBS or slurm
Execute or run jobs one after the other automatically
Nov 16, 2016 1 min read physics, chemistry, computer science
Install netcdf and netcdf-fortran required for ETSF-IO libray and octopus code
Install netcdf and netcdf-library required for etsf-io library and octopus tddft code on a standalone machine or a supercomputer
Nov 3, 2016 1 min read physics, fortran, C/C++
Find and delete all files with specific extension linux
find and delete all files with specific extension linux
Jun 9, 2016 1 min read computer science, programming