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Windows Quickstart Guide
Linux Quickstart Guide
MacOS Quickstart Guide
Introduction
Requirements
Summary
Detailed Hardware requirements
Software requirements
Important changes since AMS2021
Important changes since AMS2020
Important changes since AMS2018
Important changes since ADF2017
Installation
Decide which version to install
Download and install the software
Set up the environment
Set up the license
Floating license
Set up the scratch space
Test your installation
Check the license file
Run some basic tests
Test the GUI
Test parallel execution
Test parallel performance
Configure AMSjobs queues and 3rd party software (optional)
AMSjobs queues
Managing remote jobs
Installing Optional Components
Introducing AMSpackages
Managing packages from the command line
Finding available packages
Installing a package
Check if a package is installed
Removing a package
Updating a package
Using a local package source
MacOS and Linux
Method 1: wget
Method 2: python
Windows
Using the downloaded copy
Instructions for administrators
Persistent configurations
F.A.Q. & Troubleshooting
Where are packages are installed ?
The package manager exits saying “Unhandled exception…”
I want to use my own version of package ‘X’
COSMO-RS Database 2018
QuantumESPRESSO
Machine Learning potentials
I am having trouble downloading packages
My problem isn’t listed here
Additional Information and Known Issues
Windows Subsystem for Linux (WSL) and Docker
Shared memory and batch systems (SLURM)
GPFS file system
Running MPI jobs
Technical explanation
More on running MPI jobs
IntelMPI and core-binding
IntelMPI and SLURM
IntelMPI and SGE
IntelMPI and ABI compatibility
Multi-node issues
OpenMPI on Linux
Corrupted License File
Windows: running jobs from the command line
Using the GUI on a remote machine
X11 over SSH
X11 with OpenGL over SSH (3D graphics)
Intel Graphics (mesa)
NVidia Graphics
libGL.so examples
AMD Graphics
libGL.so examples
OpenGL direct or indirect rendering
enabling indirect rendering on Xorg 1.17 and newer
CentOS 6
Ubuntu 16.04
OSX / MacOS
OpenGL2+ with X11 over SSH
ADF2017 and VTK7
AMS2019/AMS2018 and VTK7
AMS2020/AMS2021 and VTK7
Sources
Appendix A. Environment Variables
More on the SCM_TMPDIR variable
Appendix B. Directory Structure of the AMS Package
The bin directory
The atomicdata directory
The data directory
The examples directory
The src directory
The Utils directory
The Doc directory
The scripting directory
Appendix C. Debugging MPI Problems
Technical introduction into AMS
Execution order
The $AMSBIN/start script
The $AMSBIN/setenv.sh script
MPI runtimes
Debugging MPI issues
Compiling AMS from Sources
Unpacking the distribution
Setting up environment
Running Install/configure
Compiling AMS
Installation
Documentation
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Installation
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