The following standard software is available for use.

It supports job submission from both Windows via Visualizer，or directly by using a script.
For more details, please check the MaterialsStudio Page.

After logging in, you can copy sample scripts from the folder below.
There are already prepared sample scripts to run Dmol3, Forcite．

/work/Samples/MaterialsStudio

Only script execution is supported.
Sample script is available in the following folder after login. Please copy it to your own folder as appropriate and use it

/work/Samples/Matlab

You can create a Python personal environment and easily load external libraries with pip etc.
After logging in, please refer to the following folder for Readme file, sample script. Please copy the script etc. to your own folder as appropriate and use it.

/work/Samples/Python

There are two ways to install the library yourself: (pip etc ) when using Python environment or using Docker container.

For how to build from the Python environment, please see the following Readme after logging in.

/work/Samples/Python

For installation using Docker Container is  here．

Tesla P100 has CUDA 8.0, 9.0, 9.1, and Tesla K40 has 6.5, 7.0, 7.5, 8.0 available.

Please change each version by using the following command and use the software.

module swap cuda/6.5