README
##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
