Frequently Asked Questions
Account registration
Connecting to MPCDF Systems
How do I log in to MPCDF machines?
What are the SSH gateway machines?
How can I tunnel through the gateway machines?
How can I avoid repeatedly typing my password?
How can I connect to HPC systems with Visual Studio Code (VSCode)?
How do I connect from a Windows machine?
What if my connection fails with “Corrupted MAC on input”?
Is two-factor authentication (2FA) required?
Are SSH keys supported for login?
How can I improve
ssh
/
scp
/
sftp
performance?
What should I do if I see an SSH host key warning?
How can I run GUI applications on MPCDF systems?
X11 Forwarding
VNC
Remote Visualization Service
Two-factor authentication (2FA)
General information about 2FA
Do I need to enable 2FA?
How can I check if 2FA is activated on my account?
Why is 2FA enforced?
What are tokens, OTPs, and seeds?
What kinds of tokens are available?
When will I be asked for an OTP?
Activation of 2FA
How do I enable 2FA?
How do I enroll and use an app token?
Which authenticator app should I use?
How do I register an existing hardware token?
How do I enroll and use a secondary (backup) token?
Why can’t I have an app token and a hardware token simultaneously?
2FA Tips and Tricks
Do I have to type in an OTP every time I access the secured systems?
2FA Troubleshooting
What should I do if I need to factory-reset my phone?
How do I transfer my token to a new phone?
What if I can’t validate my token (”Wrong OTP” error)?
I can’t log in to the SelfService anymore
What if I can’t log in to a gate machine via SSH?
Why can’t I access HPC clusters via VNC?
Hardware and Client Support
How can I use GUI tools (sshfs, rsync, scp, sftp) with 2FA?
How can I use FileZilla with 2FA?
How do I use 2FA on a phone with a custom time shift?
Do you support FIDO2, U2F, or YubiKeys?
Security
How are token seeds secured on the server?
Who provides the hardware tokens, and do they know the seeds?
HPC Software and Applications
General Questions
How can I install my own software?
Environment modules
How do I use environment modules interactively?
How do I use environment modules in scripts?
How can I avoid using absolute paths in my scripts?
Examples
How do hierarchical environment modules work?
How do I quickly find a module?
How can I disable the “MPCDF specific note” for
module
avail
?
Why are there no BLAS/LAPACK modules?
Compiled Languages
CMake
C/C++ and Fortran
Debugging C/C++ and Fortran Codes
Interpreted Languages
Python
R
Julia
Jupyter Notebooks
MATLAB
Message Passing Interface (MPI)
Which MPI implementations are supported?
How do I compile and link an MPI application?
What if CMake cannot find MPI?
Why can’t I use
mpirun
to launch my MPI code?
Visualization
How do I create a movie from a sequence of images?
How do I install additional TeX/LaTeX packages?
GUI Applications
Why am I having trouble with VSCode on older HPC clusters?
Why are some GUI applications not working on the login nodes?
HPC Systems and Services
Raven
What are the recommended compiler flags for Raven?
Viper
What are the recommended compiler flags for Viper?
Slurm Batch System
How do I submit a job to Slurm?
Can I submit jobs that run longer than 24 hours?
How do I launch an MPI application?
What is the correct order of commands in a Slurm script?
Can I run an interactive job for debugging?
How can I check the estimated start time of my job?
How do I get detailed information about a running job?
How do I get information about a finished job?
What happens if a hardware failure occurs during my job?
How do I handle CPU pinning?
Parallel File Systems (GPFS)
Which file systems are available and how should I use them?
How can I improve my I/O performance?
How do I share files with other users?
How do I transfer files to and from the HPC systems?
Performance Monitoring
How can I check the performance of my jobs?
How do I disable the performance monitoring for my job?
GPU Computing
How do I use the NVIDIA Multi-Process Service (MPS)?
How do I profile my GPU code?
Are there dedicated resources for interactive GPU development?
Containers
Can I run Docker containers?
Remote Visualization
How do I run GUI applications that use OpenGL?
How do I access the remote visualization service?
Tips and Tricks
How do I change my default shell?
How do I use
ssh-agent
to avoid typing my SSH key password?
Getting Help, Support, and Training
How can I get help and support?
Do you offer training on how to use MPCDF resources?
How should I acknowledge MPCDF in my publications?
Documentation
Computing
Introduction
Overview
Compute Facilities
Application Support for HPC, AI and HPDA
Gateway machines
Login
GSSAPI-based logins to MPCDF hosts
Tunneled access to MPCDF services
Dais User Guide
How to get Access permissions
Access
Hardware Configuration
Filesystems
Compilers and Libraries
Batch system based on Slurm
Current Slurm configuration on DAIS
Useful tips
Slurm example batch scripts
Support
Viper-CPU User Guide
System overview
Access
Hardware configuration
File systems
Software
Slurm batch system
Slurm example batch scripts
Migration guide for users coming from Intel-based HPC systems
Viper-GPU User Guide
System overview
Access
Hardware configuration
File systems
Software
Slurm batch system
Slurm example batch scripts
Migration guide for users coming from Intel- and NVIDIA-based HPC systems
Raven User Guide
System Overview
Access
Hardware configuration
File systems
Software
Slurm batch system
Slurm example batch scripts
Dedicated clusters
Astronomy
Astrophysics
Biochemistry
Biological Cybernetics
Biological Intelligence
Biophysics
Brain Research
Chemical Physics of Solids
Extraterrestrial Physics
Geoanthropology
Gravitational Physics
Gravitational Physics - ACR
Gravitational Physics - CRA
MPSD / PKS
Physics
Plasma Physics
Polymer Research
Psychiatry
Quantum Optics
Radioastronomy
Science of Light
Sustainable Materials
Software
Environment Modules
HPC Application Packages
AI software
Compilers and languages
Libraries
Debugging tools
Performance tools
Mathematical tools
Bioinformatics
Containers
VNC
Quickstart guide to HPC
Software environment (modules)
MPI parallel HPC applications
Multithreaded (OpenMP) or hybrid (MPI/OpenMP) HPC applications
Execution of (parallel) programs via Slurm
Performance Monitoring
Introduction
PDF Performance Reports for Users
Suspending the Performance Monitoring System for Specific Jobs
Technical Background
Overhead
Further information
Training
Courses and workshops arranged by or in collaboration with the MPCDF
Training programmes of other institutions
Data
DataShare: Sync and Share Service
DataShare: An Introduction
DataShare: Migration to Nextcloud
Switching from the ownCloud to the Nextcloud client
Desktop and Mobile clients
FAQ
Globus Online: Large-Scale data Transfer and Sharing
MPCDF DataHub and Globus Online
Staging Files to HPC systems via Globus Online
Staging data via Flows
GO-Nexus
Globus Demo Videos - Demonstrating Globus Functionality for end users
Nexus-S3: Object Storage for data Transfer and Sharing
Nexus-S3
Publishing Data for public access via S3
Small to Medium Scale Data Transfers
Data Transfer: Tools & Tips
MPCDF DataHub and Globus Online
Sharing Large Files with DataShare
GitLab: Software Development
The MPCDF GitLab Instance: an introduction
Poetry and GitLab: Devops for Python developers
GitLab Runners for CI/CD
Data Publication and Metadata Management
Service: Data Repositories
The MPCDF Metadata Tools: User Documentation
The MPCDF Metadata Tools: Developer Documentation
MetaStore User Documentation
Backup and Archive
Backup & Archive Systems
How to archive data
Backup HPC
Backup Linux Clusters
Backup AFS
Backup Desktops
Deprecated: The Andrew File System (AFS)
Store (AFS)
Introduction
Specific-Technical
Glossary
Troubleshooting
HPC-Cloud
Technical and User Documentation
Quick Start
Compute
Storage
Network
Command Line Interface and Scripting
Recipes
Rental Model
Introduction
Cost components
Setup procedure and billing procedure
Available Resources
Compute resources
Storage resources
Terms of Use
General
Backup and Recovery
Data Privacy and Sensitive Data
Proprietary Software
Service Interventions and Scheduled Down times
Performance
Support
Potential Sanctions
Visualization
Support for the Visualization of Scientific Data
Remote Visualization and Jupyter Notebook Services
Web Interface
Command line interface
Technical details
Troubleshooting
Robin
Campus
Software
Wi-Fi
Guest networks
Eduroam
Installation (
MPCDF/MPQ staff only
)
Bits and Bytes
No.220, December 2025
High-performance Computing
Viper News
Software News
AMD software on
Viper-GPU
New version of JAX on
Viper-GPU
and
Raven
Major NumPy version update introduced with
python-waterboa/2025.06
Intel software stack
Provisioning of AI Software
New ELPA module version scheme
Introducing the MPCDF LLM Inference Service
GitLab CI
Building Docker images with Podman-Runners
New tags for MPCDF GitLab runners
New naming scheme for CI module images containing CUDA and ROCm
HPC-Cloud Software Updates
Looking for alternatives
Preparing for the migration
Conclusions
Globus Migration to SelfService/MPCDF SSO
News & Events
Multifactor authentication: deactivation of E-mail tokens
International HPC Summer School 2026
AMD workshop
Meet MPCDF
Introduction to MPCDF Services
No.219, August 2025
High-performance Computing
HPC system
Viper
Using Visual Studio Code (VSCode) with the Remote-SSH extension
Software News
New ELPA version 2025.06.001
Compilers
Water Boa Python 2025.06
Accelerated prediction of protein structures and complexes with ColabFold
AlphaFold2 available on
Viper-GPU
DataShare command-line client (
ds
/
pocli
) modernized
Using Access Tokens in GitLab
Using access tokens on the command line
News/Announcements
DataShare: Migration to Nextcloud
A farewell to the AFS cell “ipp-garching.mpg.de”
Multifactor authentication: deactivation of E-mail tokens
Account re-applications
Export control and updated Terms of Use
Events
WAMTA 2026
MPG-DV-Treffen
MPG-NFDI and Research Data Management Workshops
Introduction to MPCDF services
Meet MPCDF
Python for HPC
No.218, April 2025
High-performance Computing
Viper-GPU
operational
HPC performance monitoring on
Viper-GPU
Software News
Activation of python-waterboa as the new Python default
New ELPA version 2025.01.001
GitLab shared CI runner with AMD GPU available
HowTo: External Usage of GitLab Wikis
Note-taking Apps
Enhanced SSH Configuration
News
MPCDF Status Page
Mandatory 2FA for GitLab
Events
AMD workshop
Introduction to MPCDF services
MeetMPCDF
MPG-DV-Treffen
Research Data Alliance - Deutschland-Tagung 2025
No.217, December 2024
High-performance Computing
AlphaFold3 available on
Raven
Resource limits on the HPC machines
HPC monitoring on
Viper
Routine transition to a new set of CI module images in 2025
Checks for uninitialized variables disabled in latest Intel Fortran compiler
A Shared AI System for Eleven MPIs
Events
International HPC Summer School 2025
Introduction to MPCDF services
Meet MPCDF
No.216, August 2024
High-performance Computing
New HPC system
Viper
(Phase-1: CPU)
HPC Software News
MPCDF GitLab
module-image
to be discontinued on October 31
New module images available in MPCDF GitLab
Nvidia HPC SDK version 24.3 available on
Raven
Major Change in the Python Infrastructure on the HPC Clusters
Introducing containerized Applications as Part of the MPCDF Software Stack
Nexus-S3: Object Storage in the HPC-Cloud and beyond
Example use case
Opt-in via SelfService
Object storage for larger projects
The MetaStore Research Data Publication Platform
Managing data sets and resources in MetaStore
Who can use it
News
Password policy
2FA for DataShare and GitLab
Events
AMD GPU workshop & hackathon (November 5-7)
Introduction to MPCDF services (October 24)
Meet MPCDF
MPCDF at Garching Campus Open Doors (October 3)
HPC-Cloud workshop (September 10-12)
Course on “Python for HPC” (November 26-28)
No.215, April 2024
High-performance computing
Licensed software in Slurm (Comsol)
HPC Software News
Improved workflow for multimer predictions with AlphaFold2 on
Raven
New version of Intel oneAPI with deprecation of ifort compiler
CUDA modules on
Raven
New AMD-GPU ELPA release
Kubernetes in the HPC-Cloud
Usage
Function
Existing applications
GitLab: Graphs & Diagrams
Alternatives
LLMs meet MPCDF
News & Events
Introduction to MPCDF services
Meet MPCDF
No.214, December 2023
HPC Software News
CUDA-aware OpenMPI on
Raven
GPU-accelerated VASP
Intel oneAPI: transition from ifort to ifx
Module Software Stacks for Continuous Integration Pipelines on MPCDF GitLab Shared Cloud Runners
Introducing a novel module-enabled Docker image infrastructure
Announcing legacy status and later discontinuation of the
module-image
Compressed Portable Conda Environments for HPC Systems
Introduction and Motivation
Move Conda environments into compressed image files
Basic usage examples
Limitations
Availability
New Features in the HPC-Cloud
Expanded menu of flavors and images
SSD-based block volumes
Automated domain name service
Shared filesystem service
The Robin cluster
News & Events
AMD-GPU development workshop
Meet MPCDF
RDA Deutschland Tagung 2024
No.213, August 2023
High-performance Computing
New GPU development partition on
Raven
Memory profiling with heaptrack
New compilers and libraries: Intel oneAPI 2023.1
Using linters to improve and maintain code quality
HPC-Cloud Object Storage
JADE - Automated Slurm deployments in the HPC-Cloud
GitLab: Tips & Tricks
Online editing of source code revisited
Custom badges
Security warning
New IBM tape library and tape drives installed at MPCDF
News & Events
Open positions at MPCDF
Meet MPCDF
AMD-GPU development workshop
No.212, April 2023
High-performance Computing
New Supercomputer of the MPG -
Cobra
successor
Documentation of HPC hardware characteristics
CMake Recipes Repository
MPCDF HPC Cloud
Introduction
Hardware Resources
Project Support
Summary
News
MPCDF SelfService
Pushing Fusion-Plasma Simulations Towards Exascale
Base4NFDI: Creating NFDI-wide basic services in a world of specific domains
Events
Meet MPCDF
Introduction to MPCDF services
AI Training Course
Course on “Python for HPC”
RDA-Deutschland Conference
No.211, December 2022
High-performance Computing
Anaconda Python modules
Hints for architecture-specific and optimized CUDA compilation
New Intel C/C++ compilers and associated MPCDF software stack
Turbomole license for MPG renewed
Apptainer on HPC clusters, the Linux Foundation successor to Singularity
GitLab Tips & Tricks: Use of Docker Images in GitLab CI
GO-Nexus
News & Events
Discontinuation of General VPN
Meet MPCDF
Python for HPC
Advanced HPC Workshop
No.210, August 2022
High-performance Computing
Cobra successor procurement
CO
2
footprint of MPCDF
Software news
GitLab CI Distributed Cache
Introduction
Adding a cache to your CI configuration
CI of software that depends on third-party packages
CI of a complex HPC code that requires CPU and partly GPU resources
Concluding remarks
Globus Flows
Introduction
Flows in detail
Example
Summary
News & Events
Introduction to MPCDF services
Meet MPCDF
Advanced HPC workshop
Python for HPC
No.209, April 2022
High-performance Computing
AlphaFold2 on the HPC system
Raven
GitLab CI
GitLab shared runners on GPUs
Continuous integration testing for HPC codes on MPCDF GitLab
Globus Online
DataHub access via the Globus Online Portal
Enhanced functionality
More information
New SelfService Features and Improvements
Redesign of the login process
Viewing accounting data
Additional improvements
Access to AFS restricted for local Access only
News & Events
AI bootcamp
International HPC Summer School 2022
Workshop “Introduction to MPCDF services (online)”
“Meet MPCDF”: New online forum and lectures for MPCDF users
RDA-Deutschland-Tagung 2022
No.208, December 2021
High-performance Computing
Termination of general user operation for
Draco
login nodes
Announcement of CUDA no-defaults on
Cobra
and
Raven
Usage of /tmp and /dev/shm on
Cobra
and
Raven
Eigensolver library ELPA
Using Python-based hybrid-parallel codes on HPC systems
Python bindings for C++ using pybind11 and scikit-build
Interfacing Python/NumPy with C++ using pybind11
Build with scikit-build
The Gitlab Package Registry
Example: Publishing Python packages
Using Application Tokens instead of Passwords
DataShare
GitLab
Software Publishing
Do it yourself
Publish via a data archiving site
Software Heritage
Final remarks
News & Events
International HPC Summer School 2022
Advanced HPC workshop 2021
60 Years Max Planck Computing Centre in Garching
No.207, August 2021
High-performance Computing
HPC system
Raven
fully operational
GPU Computing on
Raven
HPC system
Cobra
- Module system to be aligned with
Raven
Decommissioning of
Draco
HPC Cloud
Poetry: Packaging and Dependency Management for Python
Introduction
A Poetry project and initial configuration
Dependency Management
Running your code
Package creation and publishing
Conclusion
More functionality for the SelfService - Call to action for 2FA users
Migration of MyMPCDF functionality
Updated password policy
Two-Factor Authentication (2FA) - Call to action
News & Events
Brochure “High-Performance Computing and Data Science in the MPG”
GPU bootcamp
Introductory course for new users of MPCDF
Advanced HPC workshop
Python for HPC
No.206, April 2021
High-performance Computing
HPC System
Raven
: deployment of the final system
Charliecloud and Singularity containers supported on
Cobra
and
Raven
Control and verification of the CPU affinity of processes and threads
High-performance data analytics and AI software stack at MPCDF
Decommissioning of AFS
Relaunch of MPCDF website and new technical documentation platform
Events
New online introductory course for new users of MPCDF
Advanced HPC workshop: save the date
Previous Editions
Technical Documentation
Documentation
Data
Backup and Archive
Backup AFS
Backup AFS
For AFS
Restore AFS files from the TSM backup