IT Service Centre (ITSC)

Please carefully review our usage policies and system specifications. Then you need to submit a proposal to the ITSC research committee for evaluation.

Download template for proposal

Every user of the HPC needs an account to access the HPC. Academic staff of the Faculty can apply for an account in the HPC through the HPC Account Request form. In the case of a student of the faculty, the supervisor should submit the request form. The turnaround for a new account is normally 48 hours. 

HPC can be accessed through the login node (10.20.15.150) through SSH, and submit jobs to the HPC. However, you are only allowed to access the login node through the university network. In case you need to access the system from outside the university, one of the options is to use a VPN (Anydesk or Teamviever will do this as well). 

ssh @10.20.15.150

For windows clients, we recommend to use putty which can be downloaded from their website https://www.putty.org/. 

Gromacs

Following lines must be added to .bashrc file. 

export PATH="/usr/local/gromacs/bin:$PATH”

export PATH="/usr/local/cuda-12.0/bin:$PATH"

export LD_LIBRARY_PATH="/usr/local/cuda-12.0/lib64:$LD_LIBRARY_PATH"

NAMD

You would add the following line to the .bashrc file. 

export PATH="/usr/local/NAMD_Git-2022-07-21:$PATH”

You would also add the following lines to the .bashrc file. This will help you to run NAMD jobs in multi-cores. 

PATH=$PATH:/usr/local/openmpi-4.1.4/bin

export PATH

anaconda3

To use these software, the following lines must be added to the .bashrc file. 

export PATH="/usr/local/anaconda3/bin:$PATH"

miniconda3

To use these software, the following lines must be added to the .bashrc file.

export PATH="/usr/local/miniconda3/bin:$PATH”

Quantum Espresso

Please add the following links in your .bashshrc 

PATH=$PATH:/usr/local/openmpi-4.1.4/bin

export PATH

export PATH="/usr/local/qe-7.1/bin:$PATH"

First SSH to the HPC server using your given credentials.

Then type “passwd”

Then you will be prompted to enter the new password and confirm the new password.

Since the storage capacity of the server is limited, it is recommended to backup the generated data files within 7 days after completion of the job. After 7 days, the files will be deleted to make space for the new jobs and the HPC management team will not be responsible for the loss of data.