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50bf022946
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Improved error messages in the log files
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2024-07-26 15:19:01 -05:00 |
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e0857ad558
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Handled more cases with ERROR in log.lammps
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2024-07-26 14:11:43 -05:00 |
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5bcf124431
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Converted the return results from iterate() into a dict, processed memory leaks if valgrind is used
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2024-07-26 12:23:58 -05:00 |
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59ef492982
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Handled a few cases with mismatched columns in thermo output
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2024-07-26 09:51:19 -05:00 |
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1a344853e0
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Added more info on the number of input scripts per subfolder
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2024-07-25 16:49:53 -05:00 |
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0c5b9175d6
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Fixed an issue with num_ref_runs not specified before use
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2024-07-25 13:26:47 -05:00 |
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f84b18170f
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Reported different outcomes for the test runs, priotized running the input first, then processing the output, mem leaks and finally numerical checks
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2024-07-25 12:19:00 -05:00 |
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eb5f45dfe7
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Fixed bugs with progress file close
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2024-07-24 23:50:18 -05:00 |
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f254af2bab
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Updated logger and output format
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2024-07-24 23:11:54 -05:00 |
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1bde65c1f3
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Updated README with example uses, added progress file option
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2024-07-23 10:01:29 -05:00 |
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dbc1582c86
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Reformated the screen output
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2024-07-23 09:37:01 -05:00 |
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b3c2083ff1
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Split the input list before quitting for dry run
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2024-07-23 08:53:42 -05:00 |
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4a783b74be
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Split the subfolders into num_workers and write out the separate text files
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2024-07-22 16:53:12 -05:00 |
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244db720b9
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the list of subfolders can be loaded from a text file
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2024-07-22 14:58:50 -05:00 |
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51b58b4249
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Cleaned up and added comments
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2024-07-21 18:06:34 -05:00 |
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7aaa5edf29
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Updated progress tracking to skip completed tests
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2024-07-21 17:56:10 -05:00 |
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36665683d4
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Updated progress tracking
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2024-07-21 16:57:08 -05:00 |
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ca859c1d17
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Added progress to track the tests processed
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2024-07-21 16:22:11 -05:00 |
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695f25521d
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Cleaned up and fixed issues with in_place = False (using the provided in.lj for debugging)
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2024-07-21 10:21:14 -05:00 |
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f23835932c
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Updated README and cleaned up
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2024-07-21 10:06:37 -05:00 |
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e8f09bfb02
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Rearranged the functions for processing #REG markers, maybe phased out later as not needed
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2024-07-21 09:11:38 -05:00 |
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9109b4d89e
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Removed input scripts, data files and ref thermo files that were previously used for debugging, keeping only in.lj
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2024-07-21 09:01:03 -05:00 |
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afa44e931b
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Fixed log file name issues, ignored log files that don't give thermo ouput as normally expected
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2024-07-16 14:46:13 -05:00 |
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44edc61a00
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Fixed issues with log file names with overlapping patterns (e.g. log.10Jan22.abcfire.* and log.10Jan22.neb.sivac.abcfire.*)
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2024-07-16 13:16:23 -05:00 |
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f83b82f04f
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Handled more cases
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2024-07-12 23:59:17 -05:00 |
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e0a0c94c6e
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Prepared for multiprocessing, maybe using separate input lists for different run_tests.py is sufficient
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2024-07-11 00:04:26 -05:00 |
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00f214f323
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Added the --dry-run option to print statistics for the LAMMPS build and examples folder only
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2024-07-10 11:35:23 -05:00 |
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a72cffd198
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Changed indentation
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2024-07-09 08:22:37 -05:00 |
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170c12d5df
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Handled error runs where log.lammps is not created (e.g. using more MPI procs than the number of physical CPUs)
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2024-07-08 17:19:57 -05:00 |
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c7d729e3d6
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Allowed to skip a list of input scripts as specified in the config file
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2024-07-08 15:52:49 -05:00 |
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4746fe74ed
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Allowed to specify tolerances for individual input scripts, overriding the global values
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2024-07-05 09:37:06 -05:00 |
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7d5931def3
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Added example folders tested
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2024-02-23 08:16:55 -06:00 |
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9c7b169003
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Renamed the log files under examples/bpm
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2024-02-12 19:43:05 -06:00 |
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a1f38b9a75
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Captured output of the test run, reported if the run failed (e.g. missing packages)
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2024-02-08 11:29:26 -06:00 |
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f141543659
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Looped over all the runs in an input script, made more descriptive output
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2024-02-08 11:12:54 -06:00 |
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244c72afd9
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Counted the total num checks per test
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2024-02-07 15:42:15 -06:00 |
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051167a14c
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Supported JUnit XML output
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2024-02-07 15:20:55 -06:00 |
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ace87d2bb8
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Only printed out all the quantities being checked with verbose on
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2024-02-01 17:21:30 -06:00 |
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621a4e406f
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Handled exception with the yaml load
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2024-02-01 15:22:46 -06:00 |
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911227a981
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Cleaned up and expanded the set of examples being tested
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2024-01-31 14:47:11 -06:00 |
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829708bd71
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Allowed to specify example folders from arguments
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2024-01-31 13:46:34 -06:00 |
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e9dc5bafff
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Improved failed test info
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2024-01-31 13:06:04 -06:00 |
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cfe6afe665
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Used the absolute path for the lammps binary, no need for symbolic links
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2024-01-31 11:03:23 -06:00 |
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91d292fb7c
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Tested with more example subfolders
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2024-01-30 17:08:24 -06:00 |
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293e930cb0
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Expanded the tests for more subfolders, need to check if there is an existing log file with matching nprocs
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2024-01-30 14:01:43 -06:00 |
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c0fc4c8908
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Cleaned up and tested with micelle and melt under examples
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2024-01-30 13:07:57 -06:00 |
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153e30227e
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Added function to extract output from an existing log file into a yaml data structure, working on in place testing
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2024-01-29 18:07:21 -06:00 |
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ba4174f474
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Added tolerances to the config file
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2024-01-29 15:25:52 -06:00 |
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c60d439fb7
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Switched to using argparse
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2024-01-08 15:00:24 -06:00 |
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2ed03164b7
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Updated in place testing case, assuming in.* are input scripts, skipping input scripts without REG markers for now
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2023-12-10 22:56:53 -06:00 |
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