zhongxiang117

{"lastUpload":"2023-11-28T06:03:00.633Z","extensionVersion":"v3.4.3"}

zhongxiang117

when compiling GROMACS, there possibly might be an error:

~/gmxpath/build/gromacs/src/double/src/external/build-fftw/fftwBuild-prefix/src/fftwBuild/simd-support/simd-avx2.h:43:2: error: #error "compiling simd-avx2.h without avx2 support"

By refering to this post: https://bbs.archlinux.org/viewtopic.php?id=250244

I know this is caused by the conflicts of -march of cc compiler.

zhongxiang117

Intel for display, NVIDIA for computing

This guide will show you how to use Intel graphics for rendering display and NVIDIA graphics for CUDA computing on Ubuntu 18.04 / 20.04 desktop.

I made this work on an ordinary gaming PC with two graphics devices, an Intel UHD Graphics 630 plus an NVIDIA GeForce GTX 1080 Ti. Both of them can be shown via lspci | grep VGA.

00:02.0 VGA compatible controller: Intel Corporation Device 3e92
01:00.0 VGA compatible controller: NVIDIA Corporation GP102 [GeForce GTX 1080 Ti] (rev a1)

zhongxiang117

{
  "translatorID": "86ffd88b-6f4e-4bec-a5be-839c1034beb2",
  "label": "File Hierarchy",
  "description": "Export files according to collection organisation",
  "creator": "Emiliano Heyns",
  "target": "txt",
  "minVersion": "4.0.27",
  "maxVersion": "",
  "configOptions": {
    "getCollections": true

zhongxiang117

# Cache sudo password
sudo -v

# Enable installation of 32-bit packages
sudo dpkg --add-architecture i386

# Enable the Ubuntu partner repository (this doesn't seem to be necessary for 20.04)
if [ $(lsb_release -r | awk '{print $2}') == '18.04' ]; then
    sudo sed -i 's/^# deb http:\/\/archive.canonical.com\/ubuntu/deb http:\/\/archive.canonical.com\/ubuntu/' /etc/apt/sources.list
    sudo apt update

zhongxiang117

" Date: November 17, 2020
"
"

set nocompatible            " Disable vi compatibility

filetype on                 " filetype must be 'on' before setting it 'off'
filetype off                " force reloading *after* pathogen loaded

filetype plugin indent on   " Enable indentation rules that are file-type specific.

zhongxiang117

#!/bin/bash


FORMAT_DES="; Deep Eutectic Solvent OPLS-DES force field
; Version 4/2021
; Orlando Acevedo
; Email: orlando.acevedo@miami.edu
; Contributors: X. Zhong
;
; Zhong, X.; Velez, C.; Acevedo, O.