Log files

ViPErLEED produces multiple log files with names like <section>-<timestamp>.log that contain various information about the ViPErLEED run. <section> corresponds to the part of ViPErLEED that produced the log files, while <timestamp> marks the time when the file was first created (in the format yyMMdd-hhmmss).

calc-<timestamp>.log

This is the main log file for viperleed.calc and contains the most important information for the run, including all raised warnings, error messages and – if enabled – debug information. The verbosity of the log file can be controlled with the parameter LOG_LEVEL. The contents of this file will also be printed to the standard output. If something goes wrong in a ViPErLEED run, this is the first place to look.

refcalc-<timestamp>.log

The refcalc log contains the output normally created by the TensErLEED reference calculation, including information on the convergence of the layer doubling scheme of TensErLEED [6]. Logs from multiple reference calculations will be collected and their order may not be preserved.

delta-<timestamp>.log

The log of the delta-amplitude calculation. It generally does not contain much useful information, except the LMAX value used for each energy step. Logs from multiple delta calculations will be collected and their order may not be preserved.

search-<timestamp>.log

The log file for the structure search. It again contains mostly the output generated by the TensErLEED structure search and primarily information relating to the setup, e.g., the names of the used delta files and the exact starting configurations for each individual.

compile-logs

As part of the normal execution, viperleed.calc compiles several Fortran source files at runtime. Any messages and warnings produced by the employed compiler are stored, sorted by section and colleted in the compile-logs directory under SUPP. These files can be useful for troubleshooting and debugging any issues with the compilation process.