diff --git a/content/notes/CP2K exercises/CP2K-exercises-1-geo-opt.md b/content/notes/CP2K exercises/CP2K-exercises-1-geo-opt.md new file mode 100644 index 0000000..0d3ba54 --- /dev/null +++ b/content/notes/CP2K exercises/CP2K-exercises-1-geo-opt.md @@ -0,0 +1,13 @@ +--- +title: "CP2K exercises 1: geometry optimization" +description: A note for CP2K exercises concerning the geometry optimization +date: 2024-08-23T21:55 +update: 2024-08-23T21:598765 +tags: + - note/2024/08 + - note/CP2K + - note/Ab-initio +id: note20240823215500 +dg-publish: true +maturity: tree +--- diff --git a/content/notes/lammps-on-wsl-with-openmp-and-gpu.md b/content/notes/lammps-on-wsl-with-openmp-and-gpu.md index 0535f7e..5a3f61a 100644 --- a/content/notes/lammps-on-wsl-with-openmp-and-gpu.md +++ b/content/notes/lammps-on-wsl-with-openmp-and-gpu.md @@ -2,7 +2,7 @@ title: Compiling LAMMPS on WSL with OpenMP and GPU acceleration description: Recording the process of compiling LAMMPS on WSL with OpenMP and GPU acceleration date: 2024-08-18T14:11 -update: 2024-08-19T02:44 +update: 2024-08-25T00:04 tags: - note/2024/08 - note/molecular-dynamics @@ -10,7 +10,7 @@ id: note20240818141130 dg-publish: true maturity: tree --- -Though LAMMPS provides pre-built packages for Windows, the computational efficiency can hardly meet the demands of large-scale molecular dynamics (MD). A proper strategy to conduct MD on personal computers with Windows systems is to run LAMMPS on Windows Subsystem for Linux (WSL). This article records the process that I compiled LAMMPS with OpenMP and GPU acceleration on WSL2. +Though LAMMPS provides pre-built packages for Windows, the computational efficiency can hardly meet the requirements of large-scale molecular dynamics (MD). A proper strategy to conduct MD on personal computers with Windows systems is to run LAMMPS on Windows Subsystem for Linux (WSL). This article records the process that I compiled LAMMPS with OpenMP and GPU acceleration on WSL2. # Device Infomation Here's the information of hardwares and environments of my machine: diff --git a/content/notes/notes.md b/content/notes/notes.md index ec1fbf3..53fb17e 100644 --- a/content/notes/notes.md +++ b/content/notes/notes.md @@ -3,15 +3,19 @@ index: "3" dg-publish: true maturity: guideboard date: 2023-08-28T01:20 -update: 2024-08-18T19:22 +update: 2024-08-23T22:00 title: Notes Collection --- This page is a collection of all notes about records of history, conclusion or development of projects or other stuff I've don (or I'm doing). | Notes | Info | | ---------------------------------------------------------------------------------------------------------------- | --------------------------------------------------------------------------------- | +| [[notes/CP2K exercises/CP2K-exercises-1-geo-opt.md\|CP2K exercises 1: geometry optimization]] | A note for CP2K exercises concerning the geometry optimization | +| [[notes/lammps-on-wsl-with-openmp-and-gpu.md\|Compiling LAMMPS on WSL with OpenMP and GPU acceleration]] | Recording the process of compiling LAMMPS on WSL with OpenMP and GPU acceleration | | [[notes/maturity-identification.md\|Maturity systems of my digital garden]] | Constructing a maturity systems for my notes in digital garden | -| [[notes/mqtt-communication-of-esp8266.md\|Wechat mini-program control the ESP8266 robot via MQTT communication]] | Control ESP8266-developed robot by wechat mini program via mqtt | | [[notes/toc-of-digital-garden-modification.md\|Modification of table of contents of digital garden]] | Modify the digital garden for convenient table of contents | -| [[notes/lammps-on-wsl-with-openmp-and-gpu.md\|Compiling LAMMPS on WSL with OpenMP and GPU acceleration]] | Recording the process of compiling LAMMPS on WSL with OpenMP and GPU acceleration | +| [[notes/mqtt-communication-of-esp8266.md\|Wechat mini-program control the ESP8266 robot via MQTT communication]] | Control ESP8266-developed robot by wechat mini program via mqtt | + + +