This repository provides the input files, restart files, ASPECT installation details and additional ASPECT plugins, FastScape installation details, log files, parameter overview files, Paraview state files and Python model postprocessing files, used for the manuscript

Rift-inversion orogens are potential hotspots for natural H2 generation

by

Zwaan, F., Brune, S., Glerum, A., Vasey, D. A., Naliboff, J. B., Manatschal, G., and Gaucher, E. C.

submitted to Nature Geoscience

Preprint link: XXXXXX

The numerical simulations presented in this paper were run with the geodynamics code ASPECT (https://aspect.geodynamics.org/), coupled with FastScape (https://fastscape.org/)for surface processes modelling. Paraview (https://www.paraview.org/) was used for visualization and analysis of our models.

The ASPECT input files provided in this repository correspond to commit f747113 of the ASPECT branch https://github.com/EstherHeck/aspect/tree/fastscape_update_again_erosional_base_level-undo2780-before-rebase-on13mai22-Kais-and-ZhiChens-Version/ and can be found in the folder /ASPECT_source.

The Fastscape input files provided in this repository correspond to commit 8063c7c of the FastScape branch https://github.com/EstherHeck/fastscapelib-fortran/commits/fastscape-with-stratigraphy-for-aspect/ and can be found in the folder /FastScape_source.

For the initial model conditions, we used the ASPECT plugins in the folder /plugins. The file CMakeLists.txt can be used to install these plugins as shared libraries against your ASPECT installation.

The ASPECT input files and run files used to run and automatically restart each model until the designated model duration was reached can be found in the folders /prm_input_files and /run_files. The parameter files in folder /Parameter_files contain an extensive overview of all parameters used in each model, and record those parameters that deviate from the standard values.

The ASPECT log files and parameter overviews files that log the progression of each individual model can be found in the folders /log_files

ASPECT was built using the underlying library ddeal.II 9.3.0 on the German HLRN cluster Lise. deal.II used:

• 32 bit indices and vectorization level 3 (512 bits)

• Trilinos 12.18.1

• p4est 2.2.0

See also the detailed.log file in folder /ASPECT_log for more details

In order to install ASPECT with FastScape:

• Create a build directory for fastscape and compile it with an added flag for creating a shared library. cmake -DBUILD_FASTSCAPELIB_SHARED=ON /path/to/fastscapemake make

• Compile ASPECT with a flag FASTSCAPE_DIR pointing to the fastscape build folder with the shared library cmake -DFASTSCAPE_DIR=/path/to/fastscape/build -DDEAL_II_DIR=/path/to/dealii -DCMAKE_BUILD_TYPE=Release /path/to/aspect make

Python files used for postprocessing (plotting of statistical data and rearrangement of topography data for visualization in Paraview) are found in /Python_model_postprocessing

We used version 5.10 of Paraview for visualization and analysis of our models. The relevant Paraview states are provided in /Paraview_state_files