ShellSet was developed by Dr Jon B. May (INGV), Prof. Peter Bird (UCLA) & Dr Michele M. C. Carafa (INGV). It is an MPI parallelization of the combination of OrbData5, Shells_v5.0 and OrbScore2, to which we have added two input options: a model list and a grid search algorithm.
Within this repository you will find four directories:
- src -> Fortran program files and Python routines
- INPUT -> Location for storage of input files (contains examples)
- EXAMPLES -> Three ShellSet examples
- Docs -> ShellSet user guide
Also present in the repository is a GNU licence file and a Makefile. The Makefile contains three build targets: ShellSet, optimal, debug, and two clean options: clean, cleanall. All Makefile options are outlined in the user guide, as well as instructions for altering the Makefile MACROs for the build options.
Each ShellSet version will be released with a personal DOI and users of ShellSet should cite the program version using its assigned DOI.
Please contact jonbryan.may@ingv.it with any issues, questions or suggestions.
ShellSet has been designed to work in a Linux environment, either as the main or guest OS (e.g., WSL2). The following is a list of ShellSet requirements, each of which is freely available from Intel in their oneAPI toolkits, specifically the Base and HPC toolkits:
- Intel Fortran compiler
- Intel Math Kernel Library
- Message Passing Interface (MPI) environment
ShellSet was developed using the 2022 version of Intel oneAPI, it has since been tested with both 2023 & 2024 versions.
There are 3 examples included within the ShellSet package.
- List input showing 9 models distributed in a 3x3 grid.
- Grid search over 3 levels (41 distinct models) updating results from the publication available here.
- Equal to second example with an additional fault slip rate (FSR) data set used to score models.
Some users have reported issues with GUI visualisation when using WSL2. These issues have been fixed by installing VcXsrv, following instructions from here.
Both the plotting routine and GUI have only been tested in Python version 3, specifically version 3.8.10.
Some users may need to manually install tkinter (as well as other Python libraries), a terminal error message will generally give information on how to do this if required but note that users should download the version which corresponds to their Python version (while also noting that the provided Python routines are only tested in v3.8.10).
DMods.f90 -> Updated double precision routines by Peter Bird
MOD_Data.f90 -> Routines used by OrbData5
MOD_Score.f90 -> Routines used by OrbScore2
MOD_SharedSubs.f90 -> Globally shared variables and data blocks
MOD_ShellSet.f90 -> Routines used within the ShellSet update
MOD_Shells.f90 -> Routines used by SHELLS_v5.0
MOD_VarCheck.f90 -> Routines for pre-run variable checks - separated to simplify user personalisation
OrbData5.f90 -> OrbData5 program unit - mostly original with few modifications
OrbScore2.f90 -> OrbScore2 program unit - mostly original with few modifications
SHELLS_v5.0.f90 -> Shells program unit - mostly original with few modifications
ShellSetMain.f90 -> The main ShellSet program
lapack.f90 -> Intel interface for Lapack
mkl_service.f90 -> Intel interface for MKL
ShellSetGUI.py -> Graphical User Interface for ShellSet
ShellSetScatter.py -> Scatter plotter for ShellSet output (1D, 2D & 3D)
age_1p5.grd -> Seafloor ages
aggregated_offset_rates.dig -> Long-term fault heave and/or throw rates
Baum887.dig -> Application of supercomputers to 3-D mantle convection, Baumgardner (1986), Figure 7A-F
CRUST2.grd -> Crustal thickness
delta_ts.grd -> Travel-time anomaly (s) for vertical S-waves traveling through upper mantle
Earth5R.feg -> Finite element grid file
Earth5R-type4A.bcs -> Boundary conditions (no plate-interior VBCs)
Earth5R-type4AplusA.bcs -> Boundary conditions
ETOPO20.grd -> 20-minute gridded global relief data
Fouch_2004_SKS_splitting-selected.dat -> Upper-mantle anisotropy data as fast-polarization azimuths from SKS splitting (SKS splitting in sec)
GCMT_shallow_m5p7_1977-2017.eqc -> Seismic catalog
GPS2006_selected_subset.gps -> Geodetic benchmark positions and relative horizontal velocities
GridInput.in -> Information related to the grid search option
HOC79ii.dig -> Kinematic models of large-scale flow in the Earth's mantle, Hager and O'Connell (1979), Model II
iEarth5-049.in -> Parameter input file
InputFiles.in -> Names of input files required for ShellSet
ListInput.in -> List of models to be run
magnetic_PB2002.dat -> Seafloor spreading (full) rates at mid-ocean ridges
PB2002_boundaries.dig -> Digitized plate boundaries, with identification of the polarity of any subduction zones
PB2002_plates.dig -> Digitized plate outlines
robust_interpolated_stress_for_OrbScore2.dat -> Most-compressive horizontal principal stress azimuths
UpVar.in -> List of variables to be updated between the 1st & 2nd iterations of Shells