Sample Job Scripts

General Scripts

  1. Script for MPI job with Intel_MPI compilers.
  2. Script for MPI job using hdf5 parallel file-writing with Intel_MPI compilers.
  3. Script for single-GPU job for codes written with CUDA libraries.
  4. Script 1 for Intel_MPI + OpenMP job.
  5. Script 2 for Intel_MPI + OpenMp job
  6. Script for MultiGPU job.
  7. Script for OpenMPI application compiled with SLURM job.

Scripts for Specific Software

  1. Script for HiFUN job with Intel compiler.
  2. Script for HiFUN job with Intel OneAPI compiler.
  3. Script for HiFUN job with OpenMPI compiler.
  4. Script for VASP job.
  5. Script for LAMMPS job.

Others

  1. Script for explicitly binding MPI ranks to GPUs in the given nodes. 

The list can also be populated with scripts to run specific softwares such VASP(Abhishek can provide)/LAMMPS(C-DAC)/GROMACS(C_DAC)/OpenFOAM(C-DAC). This will be a nice repository to have to get users quickly started on the machine.