{ "cells": [ { "cell_type": "code", "execution_count": 1, "id": "d657ec18-da48-41d6-9c89-dd12a7d9145f", "metadata": {}, "outputs": [], "source": [ "from pyiron import Project" ] }, { "cell_type": "code", "execution_count": 2, "id": "f89c0c27-06c8-423a-beeb-b4e3da12de9d", "metadata": {}, "outputs": [], "source": [ "pr = Project('.')" ] }, { "cell_type": "code", "execution_count": 3, "id": "99c74e72-e5ea-40e3-b299-db71f79fac69", "metadata": {}, "outputs": [], "source": [ "!mkdir -p training" ] }, { "cell_type": "code", "execution_count": 4, "id": "0a5d72b6-1199-4eeb-9d17-30595c89a12c", "metadata": {}, "outputs": [], "source": [ "pr.unpack('training_export')" ] }, { "cell_type": "code", "execution_count": 5, "id": "1decb8a9-ffa7-4a57-9c30-df6d1a2d53d1", "metadata": {}, "outputs": [ { "data": { "text/html": [ "<div>\n", "<style scoped>\n", " .dataframe tbody tr th:only-of-type {\n", " vertical-align: middle;\n", " }\n", "\n", " .dataframe tbody tr th {\n", " vertical-align: top;\n", " }\n", "\n", " .dataframe thead th {\n", " text-align: right;\n", " }\n", "</style>\n", "<table border=\"1\" class=\"dataframe\">\n", " <thead>\n", " <tr style=\"text-align: right;\">\n", " <th></th>\n", " <th>id</th>\n", " <th>status</th>\n", " <th>chemicalformula</th>\n", " <th>job</th>\n", " <th>subjob</th>\n", " <th>projectpath</th>\n", " <th>project</th>\n", " <th>timestart</th>\n", " <th>timestop</th>\n", " <th>totalcputime</th>\n", " <th>computer</th>\n", " <th>hamilton</th>\n", " <th>hamversion</th>\n", " <th>parentid</th>\n", " <th>masterid</th>\n", " </tr>\n", " </thead>\n", " <tbody>\n", " <tr>\n", " <th>0</th>\n", " <td>17168587</td>\n", " <td>finished</td>\n", " <td>None</td>\n", " <td>full</td>\n", " <td>/full</td>\n", " <td>/cmmc/u/</td>\n", " <td>zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/</td>\n", " <td>2022-06-03 00:02:34.816533</td>\n", " <td>None</td>\n", " <td>None</td>\n", " <td>zora@cmti001#1</td>\n", " <td>TrainingContainer</td>\n", " <td>0.4</td>\n", " <td>None</td>\n", " <td>None</td>\n", " </tr>\n", " <tr>\n", " <th>1</th>\n", " <td>17168588</td>\n", " <td>finished</td>\n", " <td>None</td>\n", " <td>basic</td>\n", " <td>/basic</td>\n", " <td>/cmmc/u/</td>\n", " <td>zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/</td>\n", " <td>2022-06-03 00:02:47.281055</td>\n", " <td>None</td>\n", " <td>None</td>\n", " <td>zora@cmti001#1</td>\n", " <td>TrainingContainer</td>\n", " <td>0.4</td>\n", " <td>None</td>\n", " <td>None</td>\n", " </tr>\n", " <tr>\n", " <th>2</th>\n", " <td>17168589</td>\n", " <td>finished</td>\n", " <td>None</td>\n", " <td>Al_basic_atomicrex</td>\n", " <td>/Al_basic_atomicrex</td>\n", " <td>/cmmc/u/</td>\n", " <td>zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/</td>\n", " <td>2022-06-03 00:02:48.226369</td>\n", " <td>None</td>\n", " <td>None</td>\n", " <td>zora@cmti001#1</td>\n", " <td>TrainingContainer</td>\n", " <td>0.4</td>\n", " <td>None</td>\n", " <td>None</td>\n", " </tr>\n", " </tbody>\n", "</table>\n", "</div>" ], "text/plain": [ " id status chemicalformula job \\\n", "0 17168587 finished None full \n", "1 17168588 finished None basic \n", "2 17168589 finished None Al_basic_atomicrex \n", "\n", " subjob projectpath \\\n", "0 /full /cmmc/u/ \n", "1 /basic /cmmc/u/ \n", "2 /Al_basic_atomicrex /cmmc/u/ \n", "\n", " project \\\n", "0 zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/ \n", "1 zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/ \n", "2 zora/pyiron/projects/2022/POTENTIALS/TutorialNotebooks/workshop_preparation/introduction/training/ \n", "\n", " timestart timestop totalcputime computer \\\n", "0 2022-06-03 00:02:34.816533 None None zora@cmti001#1 \n", "1 2022-06-03 00:02:47.281055 None None zora@cmti001#1 \n", "2 2022-06-03 00:02:48.226369 None None zora@cmti001#1 \n", "\n", " hamilton hamversion parentid masterid \n", "0 TrainingContainer 0.4 None None \n", "1 TrainingContainer 0.4 None None \n", "2 TrainingContainer 0.4 None None " ] }, "execution_count": 5, "metadata": {}, "output_type": "execute_result" } ], "source": [ "pr['training'].job_table()" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.8.13" } }, "nbformat": 4, "nbformat_minor": 5 }