This module has been designed to offer a simple introduction and repository of simple files for submitting jobs using Young.
In this folder, we provide instructions to install different libraries in Young, such as:
- LibXC-4.3.4
- FTTW with gnu-9.2.0
- HDF5 with gnu-9.2.0 with mpi
- Lapack with gnu-9.2.0
- Creation and use of ./configure command.
A working makefile to compile cpmd is stored here as reference (File called Makefile)
job_1.sh is an example of how to submit a job with a self-compiled program.
job_2.sh is an example of how to submit a job with a compiled program in the module list.
I would like to thank Ollie Backhouse for fruitful discussions and benchmark suggestions. Please feel free to contribute and comment in the use of Young by sharing scripts or raise issues in the performance of your calculations.