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howto:material_studio [2018/02/09 10:01]
kgovender
howto:material_studio [2019/10/16 10:27] (current)
kgovender
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 ====== Material Studio at CHPC ====== ====== 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:+This is a package provided by [[https://​www.3dsbiovia.com/​products/​collaborative-science/​biovia-materials-studio/​|BIOVIA]]
  
-{{:​howto:​setting_up_material_studio_server.pdf|}}+This license can only be used by CHPC registered users, which are associated with **South African** higher education institutions
  
-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**+To gain access to Material Studio ​you need to contact [[mailto:​kgovender3@csir.co.za|Dr Krishna Govender]]
  
-You also need to send a request to [[mailto:​kgovender3@csir.co.za|Dr Krishna Govender]] in order to be added to the appropriate gateway ​if you have not already been added+He will ensure that you get added to the appropriate gateway ​and will then provide ​you with the installation files and instructions needed to setup the software on your laptop or desktop
  
-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 +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).** **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** **THE NUMBER OF CORES SHOULD NEVER BE MORE THAN 96**
/var/www/wiki/data/attic/howto/material_studio.1518163268.txt.gz · Last modified: 2018/02/09 10:01 by kgovender