1.12. MedeA Databases
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MedeA uses a variety of databases. Some are structure databases such as COD, NCD, ICSD, and Pearson, materials phase diagrams such as MSI Phase Diagrams, and others that contain user-generated results (MaterialsDesign.db) and internal data (MedeA.db) like potentials and parameters used in VASP calculations. For more information see the InfoMaticA section. MedeA 3.8 uses SQLite as the default database management system. However, the Microsoft SQ server MSQL (Windows) and the MySQL database server (Linux) of previous MedeA versions are still supported.
All the database files (.db) are located by default in the installation directory MD/Databases. The primary databases that MedeA uses to run calculations are MDJobs.db and MedeA.db. You can read the contents of these databases using the sqlite3 program.
If necessary you can change the location of the SQLite database files and also their paths in the MedeA database settings (File >> Databases).
In case of missing databases or if they are corrupted you can download zipped database file (.dbz) from the
Materials Design server update.materialsdesign.com/db.
To access the database files on the Materials Design server please use the credentials of your Materials Design
account, i.e. the same username and password to access
my.materialsdesign.com.
Please make sure the downloaded file has an extension *.dbz
(except for the MSI Pphase Diagram file being msipd.db).
Once downloaded, please save .dbz file(s) or msipd.db to the directory MD/Databases and restart the MedeA GUI. Upon restarting the MedeA GUI, a window appears to raise the fact that a new database file was found. If you confirm with OK the database is automatically extracted and installed. You only need these database files on the computer that has the MedeA GUI installed. You do not need these database files on computers that serve only as JobServer and TaskServer. If you need to specify or check the database files, click File >> Databases… and update them if necessary.
After you restarted the MedeA GUI, start InfoMaticA: Tools >> InfoMaticA, followed by InfoMaticA >> Search. With the menu sequence Options >> Databases in the InfoMaticA search dialogue make sure that all available databases are checked with a check-mark.