User Tools

Site Tools


howto:material_studio

Material Studio at CHPC

In order to run Material Studio jobs at the CHPC you need to have the software installed on your local machine and have the Gateway setup as shown in the PDF:

setting_up_material_studio_server.pdf

If you don't have a copy of the material studio software then you can obtain the install files from the CHPC cluster. Just login to lengau and copy the files from /home/accelrys.

You also need to send a request to Dr Krishna Govender in order to be added to the appropriate gateway if you have not already been added

Once added to a gateway you will receive a username and password (N.B. This is not the same as your cluster password) that should be used when submitting Material Science jobs to the CHPC cluster

Your Material Studio password can be changed at anytime via the method referred to at the end of the above PDF document

N.B. PLEASE ENSURE THAT ALL JOBS ARE RUN WITH NUMBER OF CORES = 24 OR INCREMENTS OF 24 (E.G. 48, 72, 96).

THE NUMBER OF CORES SHOULD NEVER BE MORE THAN 96

/var/www/wiki/data/pages/howto/material_studio.txt · Last modified: 2018/02/09 10:01 by kgovender