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* PUSH NOTE : CP2K-exercises-1-geo-opt.md

* PUSH NOTE : writings.md

* PUSH NOTE : notes.md

* PUSH NOTE : lammps-on-wsl-with-openmp-and-gpu.md

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blleng authored Aug 24, 2024
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13 changes: 13 additions & 0 deletions content/notes/CP2K exercises/CP2K-exercises-1-geo-opt.md
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---
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
---
4 changes: 2 additions & 2 deletions content/notes/lammps-on-wsl-with-openmp-and-gpu.md
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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
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:
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10 changes: 7 additions & 3 deletions content/notes/notes.md
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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 |




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