MathPackagesTraining

A gh-pages site to host SWC style training materials for various HPC math packages

Website

The public site for this repo is https://xsdk-project.github.io/MathPackagesTraining2024/. After pushing to the Repo, changes should be visible within minutes.

To Render Locally

install Jekyll, see http://jekyllrb.com/

install Ruby dependencies:

bundle install

Clone or move to the MathPackagesTraining2024 directory and start the Jekyll server:

git clone https://github.com/xsdk-project/MathPackagesTraining2024.git
bundle exec jekyll serve

Then point your web broswer at http://localhost:4000/MathPackagesTraining2024/

ThetaGPU

Accounts

If you have an active ACLF account and are a member of atpesc_instructors, then you can access ThetaGPU node now. Anyone who will be participating as an instructor and does not have an ALCF account or does not have access to the atpesc_instructors project should request access to those ASAP.

Quick Start

To connect:

ssh theta.alcf.anl.gov

To work on ThetaGPU resources, login to a Theta login node, and then hop on to one of the GPU service nodes:

ssh thetagpusn1  # or thetagpusn2

The OS/compilers on the thetagpusn1 and thetagpusn2 are different then the compute nodes. Therefore, you will likely want to immediately move to the GPU node to build.

To request an interactive session:

qsub -I -q single-gpu -t 60 -n 1 -A ATPESC_Instructors --attrs filesystems=home,eagle

The admin recommends using a newer OpenMPI module:

module load openmpi/openmpi-4.1.4_ucx-1.12.1_gcc-9.4.0

For CMake:

module load cmake-3.20.3-gcc-9.3.0-57eqw4f

For blas, lapack the recommendation is to use blis, libflame (from aocl) - i.e:

module load aocl/blis/blis-3.2 aocl/libflame/libflame-3.2
gcc -lflame -lblis

CUDA options

The A100 GPU has CUDA Capability: 8.0 i.e the corresponding compile options are:

nvcc -gencode arch=compute_80,code=sm_80

With cmake - the likely option is: -DCMAKE_CUDA_ARCHITECTURES=80

Install software

Install software at /eagle/projects/ATPESC2024/usr/MathPackages - for ex: /eagle/projects/ATPESC2024/usr/MathPackages/petsc-3.19.4

And then copy over needed tutorial binaries, datafiles etc. over to /eagle/projects/ATPESC2024/EXAMPLES/track-5-numerical into appropriate folders - for ex: (from last year)

balay@thetagpu06:~$ ls -l /eagle/projects/ATPESC2024/EXAMPLES/track-5-numerical
total 40
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 amrex
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 hand_coded_heat
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 krylov_amg_hypre
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 krylov_amg_muelu
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 mfem-pumi-lesson
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:33 nonlinear_solvers_petsc
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:21 numerical_optimization_tao
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 rank_structured_strumpack
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 superlu
drwxrwsr-x 2 balay ATPESC_Instructors 4096 Aug  2 12:13 time_integrators_sundials

Getting Started Guide

The "getting started" guide for ThetaGPU can be found at https://www.alcf.anl.gov/support-center/theta-gpu-nodes/getting-started-thetagpu.