NERSC/MiniDFT

This repository has been archived on 22/Jan/2024
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GNU General Publi...
Created almost 7 years ago
Updated almost 7 years ago

NERSC/MiniDFT

NERSC

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MiniDFT is a minimalist version of Quantum ESPRESSO that performs only LDA total energy and gradient calculations. The purpose of miniDFT is to explore new parallelization schemes, programming languages, programming models and computer architectures, and evaluate their suitability for plane-wave DFT calculations. These types of experiments will be more easily done with MiniDFT than with QE, because the current version of MiniDFT is significantly smaller than QE.

shifter

Shifter - Linux Containers for HPC

timemory

Modular C++ Toolkit for Performance Analysis and Logging. Profiling API and Tools for C, C++, CUDA, Fortran, and Python. The C++ template API is essentially a framework to creating tools: it is designed to provide a unifying interface for recording various performance measurements alongside data logging and interfaces to other tools.

jupyterlab-slurm

slurm-magic

IPython magic for SLURM.

slurm-ray-cluster

dl4sci-tf-tutorials

Official TensorFlow 2.0 tutorial notebooks for the Deep Learning for Science School at LBNL

Jupyter Notebook

sc22-dl-tutorial

Material for the SC22 Deep Learning at Scale Tutorial

sc23-dl-tutorial

SC23 Deep Learning at Scale Tutorial Material

podman-hpc

pytorch-examples

PyTorch examples for NERSC systems

Jupyter Notebook

Shifter-Tutorial

Collection of tutorials for using Shifter to bring containers to HPC

sc21-dl-tutorial

Material for the SC21 Deep Learning at Scale Tutorial

sshspawner

Spawn JupyterHub single-user servers with ssh

data-seminars

pytokio

[READ ONLY] Refer to gitlab repo for updated version - Total Knowledge of I/O Reference Implementation. Please see wiki for contribution guidelines.

sc20-dl-tutorial

CosmoFlow

Jupyter Notebook

timemory-tutorials

Tutorials for Timemory

Jupyter Notebook

itt-python

Includes Python bindings to instrumentation and tracing technology (ITT) APIs for VTune

sc19-dl-tutorial

Hands-on material for the SC19 tutorial, Deep Learning at Scale

Jupyter Notebook

jupyterlab-recents

A JupyterLab extension that tracks recent files and directories.

openmp-series-2024

OpenMP Training Series, May to October 2024

jupyterlab-favorites

Add the ability to save favorite folders to JupyterLab for quicker browsing

intro-HPC-bootcamp-2023

Jupyter Notebook

nersc-dl-multigpu

single-GPU to multi-GPU training of PyTorch apps at NERSC

jupyterhub-deploy

Docker Deployment of NERSC Jupyterhub (including auth and spawner modules)

crash-course-supercomputing

sc18-dl-tutorial

Keras tutorial code for the SC18 tutorial on Deep Learning at Scale

Jupyter Notebook

sfapi_client

Python client for SF API

2016-11-14-sc16-Container-Tutorial

Tutorial contents for SC16 on November 14, 2016

dl4sci-scaling-tutorial

Deep Learning Scaling tutorial material for the Deep Learning for Science School at Berkeley Lab

Jupyter Notebook

spack-infrastructure

cori-tf-distributed-examples

Scripts/Benchmarks for Running Tensorflow Distributed on Cori

nersc-dl-wandb

Guidelines on using Weights and Biases logging for deep learning applications on NERSC machines

buildtest-nersc

ml-pm-training-2022

ML Perlmutter User Training

hpcpp

train

resources for user training exercises

DL-Parallel-IO

Scalable Data Pipeline and Parallel IO in Deep Learning Framework

object-store

Evaluating object stores with HPC science applications

c2d

c2d utility to take Conda environments and Jupyter notebooks from Cori to a local Docker image.

sshproxy

NERSC SSH Proxy Service

gsiauthenticator

gpu-for-science-day-july-2019

Hacking Competition Code for NERSC's GPU for Science Day, July 2019

nccl-ofi-plugin

Repository for building the NCCL OFI plugin from AWS and NVIDIA

isc19-dl-tutorial

Jupyter Notebook

CompactCori

Setup and simulation scripts for CompactCori

hep_cnn_benchmark

TensorFlow Benchmark for the HEP Deep Learning CNN Model

data-day-2022

Demo code for the NERSC Data Day 2022 training event.

instrumentation-benchmark

Performance analysis tests for performance analysis tools

ecp-container-tutorial

Material for the ECP Tutorial on Containers

jupyterlab-cpustatus

Show CPU usage in JupyterLab statusbar

base-images

Base Docker Images

spin-docker-compose-example

clonenotebooks

An extension to NBViewer for cloning notebooks to a local directory

Jupyter Notebook

lustre-design-analysis

Data and analysis demonstrating how to quantitatively design a Lustre file system

Jupyter Notebook

new-user-training-notebooks

Some notebook demos from the new user training

Jupyter Notebook

nersc-ml-images

Contains Dockefiles for NERSC ML images

sshapiauthenticator

Custom Jupyter Authenticator that works against NERSC's SSH Auth API service

tf-perf-kernels

This repository contains scripts calling kernels for TensorFlow along with profiling scripts for Cori-GPU.

Jupyter Notebook

heterogeneous-IO

Understanding the IO Performance on KNL and Haswell

Jupyter Notebook

smwflow

Tools for applying gitflow to Cray systems management

spin-recipes

Repository of Spin Recipes

chos

CHOS: The CHroot OS that lets users choose their OS.

slurm-helpers

handy bash and python snippets for interacting with Slurm at NERSC

jupyterhub-entrypoint

JupyterHub Entrypoint Service. Registry that maintains custom entrypoint settings through a REST API.

cmake-helpers

Tips and utilities for using Cmake in a project

Perlmutter_Training_Jan2022

Training material for Perlmutter User Training 2022

mlperf-prof

Common set of utilities for MLPerf-HPC profiling

customs

Inspect and report Python packages of interest

example-jupyter-notebooks

General example notebooks for Jupyter at NERSC

Jupyter Notebook

Migrate-to-Perlmutter

nersc-tensorboard-helper

Scripts to help run tensorboard at NERSC

Jupyter Notebook

BB-unit-tests

A suite of unit tests for the Burst Buffer

giveandtake

Give and Take Command at NERSC

QENESAP

nersc-nvidia-ai4sci

NERSC / NVIDIA AI for Science Bootcamp

Jupyter Notebook

pam_mfa

PAM module to enable opt-in MFA

Hadoop-on-Demand

Scripts for running Hadoop on demand on NERSC systems.

sc22-canopie-hpc-benchmarks

variable-time-job

cug19-da-tutorial

This repo hosts the Data Analytics Tutorial for CUG 2019

Jupyter Notebook

dayabay-learn

Learning to Extract Features from the Daya Bay Reactor Neutrino Experiment

Jupyter Notebook

SMWG-reference-arch

A reference architecture for monitoring of Cray supercomputers

swin_v2_weather

This repository contains the SwinV2_Weather model, developed for the "Analyzing and Exploring Training Recipes for Large-Scale Transformer-Based Weather Prediction" paper. The repo includes training scripts, pre-processing utilities, and model configuration files.

nersc-refresh-announcements

JupyterLab Extension that fetches and displays announcements to the user from an external API.

qpredict

Predicting queue wait times for batch jobs on NERSC systems

nersc-latex-presentation

NERSC-themed LaTeX beamer presentation template

jupyterlab_resuse

Proof of concept for NERSC

tokio-abcutils

Tools and methods to analyze TOKIO-ABC results

Jupyter Notebook

shifter-tools

A collection of scripts for Shifter @ NERSC

nersc-tf-tests

cray-bdc-deeplearning

Repository of examples for the NERSC-CRAY Big Data Center collaboration

inference_benchmarks

community-software

dayabay-data-conversion

Converting Daya Bay ROOT file data to HDF5

ipypathchooser

An ipywidget for choosing a path (file or directory) interactively

FLAC-HDF5-plugin

A third party FLAC filter for HDF5

rstudio-deploy

NERSC's R Studio docker deployment

ecp19-dl-tutorial

Material for the Deep Learning tutorial at the 2019 ECP All-Hands Meeting

Jupyter Notebook