LAMMPS
LAMMPS LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics program from Sandia
How to Run Batch Job
How to Run Batch Job Using PBS in HPC Cluster The PBS Pro job scheduler
Registration Guide
Registration GuideRegistering for an account via HPC Portal The HPC Portal is open to all
Parallel Computing
Parallel ComputingIntroduction The following four types of parallel computing are available for you to consider
Gromacs
GROMACS GROMACS is a highly optimized open source molecular dynamics package primarily designed for biomolecular systems
GaussView
GaussView GaussView 5 is the latest release of GaussView from Gaussian. You may use it to
New HPC Portal (Display Manager)
New HPC Portal (Display Manager) Login https://hpcportal.nus.edu.sg/ Registration of Your Account If it shows "you
HPC GPU
#!/bin/bash #PBS -P Project_Name_of_Job #PBS -q gpu #PBS -l select=1:ncpus=6:ngpus=1 #PBS -j oe
HPC Consulting Service
HPC Consulting ServiceService Description To provide consultation to researchers during the research project planning and
Getting Started
Getting Started Access interactive & visual terminals – for modelling, visualization, code compilation, batch job