Xiang Zhong 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.

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)

	{
	"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

	# 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

	" 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.

	#!/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.