MPIRUN after Ubuntu install from sudo apt install nwchem

From NWChem

Viewed 429 times, With a total of 0 Posts
Jump to: navigation, search

Clicked A Few Times
Threads 3
Posts 6
After installing ubuntu, i used sudo apt install nwchem, successfully. The program runs when sudo is used, and fails when it does not. When i try to use mpirun, it warns not to do that with sudo

platform windows 10 with Windows subsytem for Linux and ubuntu installed

1) Do i need to go back, uninstall nwchem and set environment variables before running sudo apt install nwchem to be able to use MPIRUN
2) Is MPI already installed and i need to change a setting?
3) can i run MIPRUN as sudo- all i am using ubuntu for is nwchem

I cannot match online content with this particular setup. A highlevel order of operations would be appreciated
thanks
Robert


Forum >> NWChem's corner >> Compiling NWChem



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC