@@ -260,6 +260,505 @@ will load the intel compiler suite and add variables to your environment.
on how to use environment modules go to [Using Environment Modules](Misc/Environment-Modules.md)
### Containers
We can use complex software that is contained in [singularity](https://singularity.hpcng.org/) containers [(doc)](https://singularity.hpcng.org/user-docs/master/) and can be executed on VSC-4. Please consider using one of the following containers:
-`py3centos7anaconda3-2020-07-dev`
located in the `$DATA` directory of IMGW: `/gpfs/data/fs71386/imgw`
#### How to use?
Currently there is only one container with a run script.
```bash
# The directory of the containers
/gpfs/data/fs71386/imgw/run.sh [arguments]
# executing the python inside
/gpfs/data/fs71386/imgw/run.sh python
# or ipython
/gpfs/data/fs71386/imgw/run.sh ipython
# with other arguments
/gpfs/data/fs71386/imgw/run.sh python analyis.py
```
#### Understanding the container
In principle, a run script needs to do only 3 things:
1. load the module `singularity`
2. set `SINGULARITY_BIND` environment variable
3. execute the container with your arguments
It is necessary to set the `SINGULARITY_BIND` because the `$HOME` and `$DATA` or `$BINFS` path are no standard linux paths, therefore the container linux does not know about these and accessing files from within the container is not possible. In the future if you have problems with accessing other paths, adding them to the `SINGULARITY_BIND` might fix the issue.
In principe one can execute the container like this:
```bash
# check if the module is loaded
module load singularity
# just run the container initiating the builting runscript (running ipython):
