Shasha FengInstalling singularity on Ubuntu 20.04 LTSThe HPC manager at my university told me that there is going to be a workshop on using singularity. The singularity on the HPC cluster is…Mar 31, 2022Mar 31, 2022
Shasha FengSolving issue of Docker Runtime ‘nvidia’ not foundSo I have been a Docker fan and I usually run OpenMM within Docker for MD simulations (see post here). One day I installed all the new…Feb 12, 2022Feb 12, 2022
Shasha FengTech Notes: Ubuntu 20.04 cannot play videoI made a movie using ffmpeg but I could not play it on Ubuntu 20.04! It turns out that there are some copyright and legal things…Dec 3, 2020Dec 3, 2020
Shasha FengPhilosophy of Coding and managing MD simulations (Things I Hope to Know Earlier)Over the years of working on MD simulations and data analyses, I start to think about the best practice and the philosophy of doing such…Dec 3, 2020Dec 3, 2020
Shasha FengHow to create lipid-protein complex rendering in VMDThe tutorial is about the arts of making a beautiful and focused picture of lipid-protein assembly — they are nature’s masterpiece, isn’t…Dec 3, 2020Dec 3, 2020
Shasha FengRun OpenMM Simulations in Docker with GPU supportWant to run MD simulation in Docker container, so that conflicting needs for CUDA versions can be avoided? Want to containerize everything…May 15, 2020May 15, 2020
Shasha FengBenchmark Numpy with Openblas and MKL library on AMD Ryzen 3950x CPUAMD CPUs are famous for its affordability and performance. YES, AMD! But with an AMD CPU, the first thing toward data analysis or MD…Apr 12, 2020Apr 12, 2020
