Parallel Computing

Introduction

The following four types of parallel computing are available for you to consider depending on the nature of your computational work and your preference.

Model	Description
OpenMP	Running a program by multithreading method on multiple cores within a compute node
MPI	Running a program on multiple cores either within a compute node or crossing multiple compute nodes
GPU	Running a program by multithreading method on multiple GPU cores within a GPU compute node

To learn more about the GPU computing and Grid computing, please check at the relevant website.

Parallel Computing on HPC Clusters

OpenMP and MPI parallel computing are supported on the HPC clusters. Licensed softwares such as Abaqus, Amber, Gaussian, Fluent and Material Studio can be run in parallel mode on the HPC clusters as well.

To run parallel OpenMP/MPI program and those softwares, you shall submit the jobs to an LSF parallel batch queues. You can list out the LSF parallel queues by:

# hpc queue

 ======== Status of Parallel Queues ========
          Queue :    Running :    Waiting
          flexi :         11 :        194
     parallel20 :         37 :         33
     parallel24 :         54 :        115
     parallel12 :        177 :         14
      parallel8 :          6 :          0
 -------------------------------------------

 === Status of Serial/Openmp/App Queues ====
          Queue :    Running :    Waiting
            gpu :          6 :          0
         openmp :         12 :          6
         serial :         72 :        198
          short :         51 :        183
      volta_gpu :          9 :          0
 -------------------------------------------

The details and the instructions for running OpenMP/MPI program and licensed softwares on the HPC clusters can be found below.

Number	Description
Abaqus	Finite Element Analysis (FEA) Software
Amber	Molecular mechanical force fields and simulation program
Gaussian	ab initio quantum mechanics
Fluent	Generic Computational Fluid Dynamics (CFD) package FAQS
MPI Codes	MPI parallel program computing
OpenMP Codes	OpenMP parallel program computing
Gromacs	Molecular dynamics package
Quantum Espresso	Molecule Structure Calculation and Nanoscale Material Modeling