Essentials – Before you begin
- Gettng started
– Congratulations! You have successfully created your user-id on the BITMesra-HPC system.
– You are expected to follow a basic protocol regarding the usage and maintainance of this facility.
Please be informed that failing to adhere to such basic but essential norms may lead to your jobs being
blocked from the HPC. Repeated offence may also lead to the user being barred from using this facility.
- Change User Password
– On the terminal (after logging-in), type `passwd'. You will be prompted to provide the
current password and the new password (twice). Please follow the instructions.
– Log out and log back in with the new password.
For more details, please check out: https://www.cyberciti.biz/faq/linux-set-change-password-how-to/
- Please ask the system admin to also add you to the group ‘physics’ to access the ReadMe files (see next).
- All the relevant information is available (including the sample PBS scripts and examples) in ‘/home/gen_info’, which includes:
– ReadMe (general purpose: quick intro to PBS, how to install your desired softwares as a user, current status and plan)
– ReadMe – PBS
– ReadMe – Installation of per-user packages
– Sample PBS scripts for python, fortran [gfortran and ifort (oneAPI)], WIEN2k
DFT Packages (Available)