April 2015

Compiling using Cray Compilers on Hopper (updated)

To compile using Cray compilers on Hopper, first swap the programming environment by typing:
module swap PrgEnv-pgi PrgEnv-cray

the CrayFtn compiler has a problem with the string ACCESS='APPEND' so these all need to be replaced with POSITION='APPEND'

you can use this command to modify them all

Show output in browser

Do you want to see the output of NRLMOL in a browser when running calculations on a local machine?

Follow the instructions listed here.