Index

Material for the 2019 EMSL/ARM Aerosol Summer School¶

https://pnnl.cvent.com/events/aerosol-summer-school/agenda-a5619d0658f24e799567a97dbb6ef20d.aspx

This webpage can be reached by using the following URL

The Arrows webpage can be reached by using the following URL

https://arrows.emsl.pnnl.gov/api/aerosol

Instruction for installing NWChem on Mac with Homebrew¶

In Terminal App,
either use the script https://github.com/nwchemgit/nwchem-wiki/blob/master/tut2019/macinstall.bash or follow these instructions
If Homebrew is not installed yet, type

/usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"

type

brew install nwchem

Instruction for installing NWChem on Ubuntu 18 Bionic¶

Open terminal and type

sudo apt -y install mpi-default-bin libgfortran4 libopenblas-base \
libopenmpi2 libscalapack-openmpi2.0 openmpi-bin libquadmath0 \
libfabric1 libhwloc5 libibverbs1 libpsm-infinipath1 \
openmpi-common libhwloc-plugins libnl-route-3-200 \
ocl-icd-libopencl1  librdmacm1

Download NWChem install file by typing

wget https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-data_6.8.1+133+gitge032219-2_all.ubuntu_bionic.deb
wget https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem_6.8.1+133+gitge032219-2_amd64.ubuntu_bionic.deb

Install the NWChem packages

sudo dpkg -i nwchem_6.8.1+133+gitge032219-2_amd64.ubuntu_bionic.deb \ 
nwchem-data_6.8.1+133+gitge032219-2_all.ubuntu_bionic.deb

Alternative: use the script https://github.com/nwchemgit/nwchem-wiki/blob/master/tut2019/ubuntu18install.bash