Contents Bits&Bytes

Issue Contents
203 New Director of the MPCDF
High-performance Computing
  • Extension of MPG HPC resources: Raven
  • GPU development partition on Cobra
  • Intel MKL: using only part of the functionality

Jupyter Notebook as a service
FTP decommissioning
Tips & Tricks
  • Changing the password, take care against lockout
  • Missed the password change, no problem

Ecosystem Data Management
News & Events
  • Third Advanced HPC Workshop
  • HPC Summer School 2020
  • RDA-Deutschland Conference 2020

202 High-performance Computing
  • Software upgrades on Cobra and Draco
  • RVS on Cobra
  • Module environment
  • GPU profiling tools

Python on HPC systems
Cluster hosting
The MPCDF SelfService: Guest-User and Self-Management for GitLab and DataShare
  • Data management with the HSM system HPSS
  • Safety of Archival Data

News & Events
  • HPC Workshop November 2019
  • HPC Summer School 2020

201 High-performance Computing
  • Supercomputer Cobra further extended with Quadro RTX GPUs
  • New job-submit plugin activated on Cobra
  • Some hints on backfill scheduling and job time limits on Cobra and Draco
  • Update strategy for the Anaconda Python installations

HPC Performance Monitoring System
ELPA eigensolvers further pushed to unexcelled performance and scaling behavior
New Web-based Remote Visualization Service
Collaborative Document Editing in DataShare
News & Events
  • GitLab now serves more than 2000 users

200 Bits & Bytes turns 50!
High-performance Computing
  • Supercomputer Cobra extended with Volta GPUs
  • Decommissioning of the Hydra Cluster
  • Using the hyperthreading feature on the Cobra cluster
  • NEC SX-Aurora Development Platform

Data-Analytics on MPCDF HPC systems
Keeper - Archive the way you work
New Projects and Collaborations
  • Enabling of Plasma Physics Simulation Codes towards Exascale
  • Munich School for Data Science

  • Data stored in HPSS exceeds 100 PB
  • IAEA challenge award for IPP/MPCDF team

199 High-performance Computing
  • HPC Clusters Cobra and Hydra

The evolution of the Anonymous FTP server and data sharing at MPCDF
Lightweight performance measurement tools
  • The likwid tool suite
  • ftimings, a simple Fortran library for time measurement and profiling

GitLab: Online Editing of Source Code

198 HPC
  • New HPC System Cobra
  • Software organization and hierarchical environment modules
  • Recommendations for using the Intel Compiler 2018

Spark on Draco
Major Upgrade of DataShare Service
SSH security considerations

197 DataHub
Yacora on the Web
High-performance Computing
  • HPC cluster Hydra
  • HPC extension cluster Draco
  • Hydra follow-on system

Inastemp: a Vectorization Library to Accelerate C++ Codes

196 Singularity: containers for HPC
Transferring data to and from MPCDF
DataShare via WebDAV
System and software upgrade on the HPC extension system Draco
MPCDF's GitLab now supports Continuous Integration & Delivery

195 Draco cluster extended by large-memory nodes
A simple command-line client for the MPCDF DataShare (ownCloud) service
BagIt - command-line tool supporting the BagIt compound data format
Archiving your data with HPSS
Visualizing data from molecular simulations with VisIt

194 HPC
  • SLURM and Intel tools
  • SLURM and array jobs
  • Interactive jobs on hydra
  • Interactive jobs on draco

Galaxy instance for the MPG
Python infrastructure
Recent optimizations of ELPA eigensolvers
csvkit - A command line suite of tools for converting and working with CSV data
  • National IT-Summit
  • International HPC Summer School 2017

193 DRACO as an extension of HYDRA
VM Backups
TeD-T: The Term Definition Tool
Uberftp - A powerful command line tool for gridftp based data management

192 Remote visualization on Hydra
VNC remote desktops on MPCDF Linux systems
BagIt: smart packaging of files
Gitlab update
DataShare update
python infrastructure at the MPCDF
Change in Forcheck
MPCDF archive system -- expansion of GHI for projects
ELPA: improved eigensolvers for computational materials science
Vagrant -- Virtual Development Environments made easy

191 High-Reformance Computing
  • Formatted I/O in Fortran
  • Buffer Aliasing in MPI calls
  • How to archive/backup data on the HPC cluster hydra

The MPCDF GitLab Service
Upgrade of the Visualization Infrastructure
New Centre of Excellence: NOMAD Laboratory
Mailing problems with new DSL
Debugging Memory Corruption with the Address Sanitizer Library

190 MPCDF, the new name of the RZG
High-throughput data transfers using Globus Online
Interactive graphics with x3d(om)
  • Virgo Data Center
  • EU Horizon 2020 Projects

100-Gbps wide area network connection
Tips and Tricks
  • Python setup tools
  • How to efficiently make use of only one gateway session (screen command)

189 Sync & Share
HPC system Hydra
  • Application I/O profiling
  • Sharing Files in GPFS
  • How to synchonize file trees with hydra

188 Taco - A Metadata System for Hierarchically Structured Data Collections
  • Introduction
  • The configuration
  • TacoEdit
  • TacoHarvest
  • tacoBrowse
  • Further Information

HPC System Hydra
  • System availability
  • CPU and memory usage of jobs
  • New compiler and module defaults
  • Notes on the floating-point accuracy of Intel compilers
  • Ivy-Bridge specific instructions with Intel/14.0 compilers

Virtual Hosting Environment
Extreme Scaling and Visualization of HPC Applications

187 Status of the Max Planck Supercomputer Hydra
Hydra Environment for GPU and MIC Applications
  • The accelerator/coprocessor partition of Hydra
  • GPU (Nvidia K20x ´Kepler´)
  • MIC (Intel Xeon Phi 5110p)

GIT Hosting Service
Long-Term Archiving

186 New Max Planck Supercomputer Hydra: Main Installation
  • Hydra, deployment phase 2
  • Accelerator and coprocessor technology

Intel Software License Agreement for MPG
Sofware News
  • Graphical Debugger Allinea DDT
  • Upcoming changes to the default software environment on Hydra

Storage/Archive Systems
  • New archive system HPSS
  • New RZG tape library at LRZ

Redundant connection to the German Research Network

185 Next Generation Max Planck Supercomputer at RZG
HPSS - High Performance Storage System at RZG
  • Updated LAPACK and SCALAPACK libraries
  • NAG SMP library for Power6

VisIt, a parallel visualization and data analysis tool
Software News

184 Next Generation Supercomputer
Software updates on HPC systems
New Scalable Eigenvalue Solver
HPSS - High Performance Storage System
Performance Analysis with IBM HPC toolkit

183 New Linux cluster for remote visualization
  • Introduction
  • Cluster specification
  • Technical details
  • Visualization software and support
  • How to access the cluster

Code validation tools
  • The Compiler
  • FORCHECK: A Fortran Verfier and Programming Aid
  • MARMOT: MPI Correctness Tool
  • VALGRIND: a memory debugging and profiing tool

Power6 software upgrade

182 New Bits & Bytes
Introducing Environment Modules
  • Background: Environment modules
  • Usage of modules
  • Examples:

GPGPU Computing
  • Some background on GPGPU computing
  • Differenzes between CPUs and GPUs
  • The OpenCL framework
  • The NVIDIA Tesla S1070 platform deployed at RZG

Applications: Performance Analysis with Scalasca
  • Short description
  • Example usage
  • Inspection of the results

Network Configuration Templates for PCs
Update on Mass Storage
System Environments for HPC
  • IBM Power6 system ´vip´
  • IBM BlueGene/P genius

181 vip - The new IBM Power6 Supercomputer at RZG
  • Hardware
  • Software
  • Operation

genius - The IBM Blue Gene/P at RZG
Archiving at RZG
Video Conferencing

180 Genius - The IBM Blue Gene/P system at RZG
  • Hardware
  • Software
  • Operation
  • First experiences

The Munich-ATLAS-Tier2 project
Long Time Data Preservation

179 The Next Generation Supercomputer of the Max Planck Society at RZG
Refurbishment of the Old RZG Computer Machine Hall
Emailservices at RZG
  • Customizing Your Server-Side Email Setup
  • FAQ: Why was This Message Delivered to Me?

Virtual Private Network - Accessing Local Resources from the Internet
New Tape Library at RZG
Linux-Clusters: Consolidation of the Used Distribution
Data Visualization Support

178 New architectures doubling compute power at RZG
  • The IBM p575 system
  • The Opteron Clusters
  • Hardware
  • System environment
  • SGI Altix 3700 system

DEISA - Supercomputing at European scale under way
  • The DEISA Global File System
  • The DEISA Extreme Computing Initiative

No virus-check on AFS-volumes

177 Xeon-based Linux cluster vs. IBM Regatta for small jobs
  • The benchmark codes
  • Benchmark systems and methods
  • Results

176 IBM p690 Supercomputer
Migrating Filesystem (HSM)
Linux Cluster Expansion
Numerical Libraries
  • WSMP
  • Intel MKL
  • Numercial Recipes

175 IBM p690 Supercomputer
Notes on virus attacks
  • How to deal with these threats?
  • What about notebooks?

Active Directory
Mozilla as substitute for Netscape

174 Trends in Videoconferencing in IPP & MPG
IBM p690 Supercomputer
  • System
  • Optimizing for Performance

GPFS on the Linux Clusters
Using the NAG library from C and C++ programs
New Color Printer at RZG dispatcher room

173 Status IBM Regatta
New Linux Cluster
  • Compilersuites for Linux
    • GGC - GNU Compiler Collection
    • Intel Compiler
    • Lahey/Fujitsu Compiler
    • Sun Java SDK
  • Debugging under Linux
  • Batch System
    • Introduction
    • Quik Start
    • Basic Commands
    • Remarks

Migration of Kerberos Server

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