{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "import ConfigParser\n",
    "import pandas as pd\n",
    "import datetime\n",
    "from datetime import datetime\n",
    "import calendar\n",
    "import matplotlib.pyplot as plt\n",
    "%matplotlib inline\n",
    "conf = ConfigParser.RawConfigParser()\n",
    "conf.read('cli.properties')\n",
    "hostName = conf.get('AiravataServer', 'host')\n",
    "port = conf.get('AiravataServer', 'port')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "AuthzToken(claimsMap={'userName': 'admin', 'gatewayID': 'seagrid'}, accessToken='empty-token')\n",
      "0.17.0\n",
      "0.17.0\n",
      "\n",
      "Welcome to Airavata CLI v0.0.1 - Wirtten in python\n",
      "\n",
      "\n",
      "None\n"
     ]
    }
   ],
   "source": [
    "from airavata_cli import AiravataCLI\n",
    "airavata_cli = AiravataCLI(hostName, int(port))\n",
    "print(airavata_cli.printVersion())"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": false
   },
   "source": [
    "## Making Sure we are connected to the right Gateway"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[Gateway(gatewayId='Arc', emailAddress='airavata.Arc', domain='Arc', gatewayName=None),\n",
       " Gateway(gatewayId='brandeis', emailAddress=None, domain='Brandeis University Science Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='chemcompute', emailAddress=None, domain='Chem Compute Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='cornelldna', emailAddress='dreg.cornell', domain='dREG DNA Sequencing', gatewayName=None),\n",
       " Gateway(gatewayId='default', emailAddress=None, domain='Testdrive Portal', gatewayName=None),\n",
       " Gateway(gatewayId='georgiastate', emailAddress=None, domain='Georgia State PHP Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='iugateway', emailAddress=None, domain='IU Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='lsu', emailAddress=None, domain='LSU Cybergateway', gatewayName=None),\n",
       " Gateway(gatewayId='New Physics Gateway 5', emailAddress=None, domain='New Physics Gateway 5', gatewayName=None),\n",
       " Gateway(gatewayId='newg', emailAddress=None, domain='newg', gatewayName=None),\n",
       " Gateway(gatewayId='nsg', emailAddress=None, domain='Neuro Science Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='oiitandy', emailAddress=None, domain='OII Science Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='oscer', emailAddress=None, domain='Oklahoma University Science Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='phasta', emailAddress=None, domain='PHASTA Science Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='scigap', emailAddress=None, domain='SciGaP Portal', gatewayName=None),\n",
       " Gateway(gatewayId='scigap-physics', emailAddress=None, domain='Physics Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='scigap-weather', emailAddress=None, domain='Wether Forecasting Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='sdfsdf', emailAddress=None, domain='sdfsdf', gatewayName=None),\n",
       " Gateway(gatewayId='seagrid', emailAddress=None, domain='SEAGrid Portal', gatewayName=None),\n",
       " Gateway(gatewayId='simvascular', emailAddress=None, domain='SimVascular', gatewayName=None),\n",
       " Gateway(gatewayId='southdakota', emailAddress=None, domain='South Dakota CyberGateway', gatewayName=None),\n",
       " Gateway(gatewayId='southill', emailAddress=None, domain='Southern Illinois PHP Gateway', gatewayName=None),\n",
       " Gateway(gatewayId='TestResearch1', emailAddress=None, domain='TestResearch1', gatewayName=None),\n",
       " Gateway(gatewayId='utah', emailAddress=None, domain='Utah-Gateway', gatewayName=None)]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "airavata_cli.get_gatewaylist()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## List of Resources the Gateway uses"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[('jetstream.chemcompute.org_d87012a7-afbd-4439-b199-c5141045ea4d',\n",
       "  'jetstream.chemcompute.org'),\n",
       " ('series.usda.gov_46bd9f3e-ab96-463b-ab5e-4e7cc527694f', 'series.usda.gov'),\n",
       " ('smic.hpc.lsu.edu_6b72d6d8-533b-42f5-9a67-8a596f719fe7', 'smic.hpc.lsu.edu'),\n",
       " ('ember.chpc.utah.edu_6fd6fb6f-4656-40d3-afa4-3521407cf14b',\n",
       "  'ember.chpc.utah.edu'),\n",
       " ('mason.uits.iu.edu_4910ad55-317b-49c9-8cc1-032da55f974a',\n",
       "  'mason.uits.iu.edu'),\n",
       " ('JetStream_3fe9cc27-26f2-45a7-bccd-c6c07d70e881',\n",
       "  'js-170-153.jetstream-cloud.org'),\n",
       " ('test_511bb8bd-b2ef-423e-958e-7a0531226dbe', 'test'),\n",
       " ('BlueWaterII_9db6f84b-a099-40db-8d51-0f81b716b4cd', 'BlueWaterII'),\n",
       " ('tandy.oii.org_93580801-f1ae-4faa-a052-46a8e21a8772',\n",
       "  'tcs.tandysupercomputing.org'),\n",
       " ('gordon.sdsc.edu_bb11b481-fe7e-44d4-95ba-d3ffcd08bf08', 'gordon.sdsc.edu'),\n",
       " ('TestKarst_ef43b68c-9fe6-419c-873e-f3efc63aeef7', 'TestKarst'),\n",
       " ('hpclogin.gsu.edu_964e7e13-f278-4bf5-8482-c8f07b556d52', 'hpclogin.gsu.edu'),\n",
       " ('hpc.usd.edu_b4bd47b0-6093-4166-8c02-c882bf6657af', 'hpc.usd.edu'),\n",
       " ('schooner.oscer.ou.edu_d5a3bcef-93c9-44c0-acea-c79095b50a38',\n",
       "  'schooner.oscer.ou.edu'),\n",
       " ('bridges.psc.edu_8e9bcd61-1f55-4926-a9b4-0cbe3d0eee8c', 'bridges.psc.edu'),\n",
       " ('stampede.tacc.xsede.org_ea585ade-831f-4ad1-91c6-d897fb170e3b',\n",
       "  'stampede.tacc.xsede.org'),\n",
       " ('karst.uits.iu.edu_a9a65e7d-d104-4c11-829b-412168bed7a8',\n",
       "  'karst.uits.iu.edu'),\n",
       " ('philip.hpc.lsu.edu_ae3007b2-93ea-4817-a7c1-2ed79061d182',\n",
       "  'philip.hpc.lsu.edu'),\n",
       " ('login-knl1.stampede.tacc.utexas.edu_5ea26511-1fa6-407d-93a8-7552a301ee53',\n",
       "  'login-knl1.stampede.tacc.utexas.edu'),\n",
       " ('js-156-20.jetstream-cloud.org_e9d76f84-2869-4d43-9d12-54320d10286f',\n",
       "  'js-156-20.jetstream-cloud.org'),\n",
       " ('bigred2.uits.iu.edu_ac140dca-3c88-46d8-b9ed-875d96ea6908',\n",
       "  'bigred2.uits.iu.edu'),\n",
       " ('kingspeak_0c37628f-ed16-414c-82a5-25d0fc031f8d', 'kingspeak.chpc.utah.edu'),\n",
       " ('alamo.uthscsa.edu_5612cc49-e6ba-4e53-bb9a-7741e95ce98b',\n",
       "  'alamo.uthscsa.edu'),\n",
       " ('comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64e1969', 'comet.sdsc.edu'),\n",
       " ('login-ld.research.siu.edu_7e01b6fe-3e16-430c-9935-4b002fc868cd',\n",
       "  'login-ld.research.siu.edu'),\n",
       " ('lonestar.tacc.utexas.edu_0d2d81a2-af4f-48c3-8be9-2093ebe2b866',\n",
       "  'lonestar.tacc.utexas.edu')]"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "airavata_cli.computer_resources().items()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Id</th>\n",
       "      <th>Name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>jetstream.chemcompute.org_d87012a7-afbd-4439-b...</td>\n",
       "      <td>jetstream.chemcompute.org</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>series.usda.gov_46bd9f3e-ab96-463b-ab5e-4e7cc5...</td>\n",
       "      <td>series.usda.gov</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>smic.hpc.lsu.edu_6b72d6d8-533b-42f5-9a67-8a596...</td>\n",
       "      <td>smic.hpc.lsu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>ember.chpc.utah.edu_6fd6fb6f-4656-40d3-afa4-35...</td>\n",
       "      <td>ember.chpc.utah.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>mason.uits.iu.edu_4910ad55-317b-49c9-8cc1-032d...</td>\n",
       "      <td>mason.uits.iu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>JetStream_3fe9cc27-26f2-45a7-bccd-c6c07d70e881</td>\n",
       "      <td>js-170-153.jetstream-cloud.org</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>test_511bb8bd-b2ef-423e-958e-7a0531226dbe</td>\n",
       "      <td>test</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>BlueWaterII_9db6f84b-a099-40db-8d51-0f81b716b4cd</td>\n",
       "      <td>BlueWaterII</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>tandy.oii.org_93580801-f1ae-4faa-a052-46a8e21a...</td>\n",
       "      <td>tcs.tandysupercomputing.org</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>gordon.sdsc.edu_bb11b481-fe7e-44d4-95ba-d3ffcd...</td>\n",
       "      <td>gordon.sdsc.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>TestKarst_ef43b68c-9fe6-419c-873e-f3efc63aeef7</td>\n",
       "      <td>TestKarst</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>hpclogin.gsu.edu_964e7e13-f278-4bf5-8482-c8f07...</td>\n",
       "      <td>hpclogin.gsu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>hpc.usd.edu_b4bd47b0-6093-4166-8c02-c882bf6657af</td>\n",
       "      <td>hpc.usd.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>schooner.oscer.ou.edu_d5a3bcef-93c9-44c0-acea-...</td>\n",
       "      <td>schooner.oscer.ou.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>bridges.psc.edu_8e9bcd61-1f55-4926-a9b4-0cbe3d...</td>\n",
       "      <td>bridges.psc.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>stampede.tacc.xsede.org_ea585ade-831f-4ad1-91c...</td>\n",
       "      <td>stampede.tacc.xsede.org</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>karst.uits.iu.edu_a9a65e7d-d104-4c11-829b-4121...</td>\n",
       "      <td>karst.uits.iu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>philip.hpc.lsu.edu_ae3007b2-93ea-4817-a7c1-2ed...</td>\n",
       "      <td>philip.hpc.lsu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>login-knl1.stampede.tacc.utexas.edu_5ea26511-1...</td>\n",
       "      <td>login-knl1.stampede.tacc.utexas.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>19</th>\n",
       "      <td>js-156-20.jetstream-cloud.org_e9d76f84-2869-4d...</td>\n",
       "      <td>js-156-20.jetstream-cloud.org</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>20</th>\n",
       "      <td>bigred2.uits.iu.edu_ac140dca-3c88-46d8-b9ed-87...</td>\n",
       "      <td>bigred2.uits.iu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>21</th>\n",
       "      <td>kingspeak_0c37628f-ed16-414c-82a5-25d0fc031f8d</td>\n",
       "      <td>kingspeak.chpc.utah.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>22</th>\n",
       "      <td>alamo.uthscsa.edu_5612cc49-e6ba-4e53-bb9a-7741...</td>\n",
       "      <td>alamo.uthscsa.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>23</th>\n",
       "      <td>comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...</td>\n",
       "      <td>comet.sdsc.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>24</th>\n",
       "      <td>login-ld.research.siu.edu_7e01b6fe-3e16-430c-9...</td>\n",
       "      <td>login-ld.research.siu.edu</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>25</th>\n",
       "      <td>lonestar.tacc.utexas.edu_0d2d81a2-af4f-48c3-8b...</td>\n",
       "      <td>lonestar.tacc.utexas.edu</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                   Id  \\\n",
       "0   jetstream.chemcompute.org_d87012a7-afbd-4439-b...   \n",
       "1   series.usda.gov_46bd9f3e-ab96-463b-ab5e-4e7cc5...   \n",
       "2   smic.hpc.lsu.edu_6b72d6d8-533b-42f5-9a67-8a596...   \n",
       "3   ember.chpc.utah.edu_6fd6fb6f-4656-40d3-afa4-35...   \n",
       "4   mason.uits.iu.edu_4910ad55-317b-49c9-8cc1-032d...   \n",
       "5      JetStream_3fe9cc27-26f2-45a7-bccd-c6c07d70e881   \n",
       "6           test_511bb8bd-b2ef-423e-958e-7a0531226dbe   \n",
       "7    BlueWaterII_9db6f84b-a099-40db-8d51-0f81b716b4cd   \n",
       "8   tandy.oii.org_93580801-f1ae-4faa-a052-46a8e21a...   \n",
       "9   gordon.sdsc.edu_bb11b481-fe7e-44d4-95ba-d3ffcd...   \n",
       "10     TestKarst_ef43b68c-9fe6-419c-873e-f3efc63aeef7   \n",
       "11  hpclogin.gsu.edu_964e7e13-f278-4bf5-8482-c8f07...   \n",
       "12   hpc.usd.edu_b4bd47b0-6093-4166-8c02-c882bf6657af   \n",
       "13  schooner.oscer.ou.edu_d5a3bcef-93c9-44c0-acea-...   \n",
       "14  bridges.psc.edu_8e9bcd61-1f55-4926-a9b4-0cbe3d...   \n",
       "15  stampede.tacc.xsede.org_ea585ade-831f-4ad1-91c...   \n",
       "16  karst.uits.iu.edu_a9a65e7d-d104-4c11-829b-4121...   \n",
       "17  philip.hpc.lsu.edu_ae3007b2-93ea-4817-a7c1-2ed...   \n",
       "18  login-knl1.stampede.tacc.utexas.edu_5ea26511-1...   \n",
       "19  js-156-20.jetstream-cloud.org_e9d76f84-2869-4d...   \n",
       "20  bigred2.uits.iu.edu_ac140dca-3c88-46d8-b9ed-87...   \n",
       "21     kingspeak_0c37628f-ed16-414c-82a5-25d0fc031f8d   \n",
       "22  alamo.uthscsa.edu_5612cc49-e6ba-4e53-bb9a-7741...   \n",
       "23  comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...   \n",
       "24  login-ld.research.siu.edu_7e01b6fe-3e16-430c-9...   \n",
       "25  lonestar.tacc.utexas.edu_0d2d81a2-af4f-48c3-8b...   \n",
       "\n",
       "                                   Name  \n",
       "0             jetstream.chemcompute.org  \n",
       "1                       series.usda.gov  \n",
       "2                      smic.hpc.lsu.edu  \n",
       "3                   ember.chpc.utah.edu  \n",
       "4                     mason.uits.iu.edu  \n",
       "5        js-170-153.jetstream-cloud.org  \n",
       "6                                  test  \n",
       "7                           BlueWaterII  \n",
       "8           tcs.tandysupercomputing.org  \n",
       "9                       gordon.sdsc.edu  \n",
       "10                            TestKarst  \n",
       "11                     hpclogin.gsu.edu  \n",
       "12                          hpc.usd.edu  \n",
       "13                schooner.oscer.ou.edu  \n",
       "14                      bridges.psc.edu  \n",
       "15              stampede.tacc.xsede.org  \n",
       "16                    karst.uits.iu.edu  \n",
       "17                   philip.hpc.lsu.edu  \n",
       "18  login-knl1.stampede.tacc.utexas.edu  \n",
       "19        js-156-20.jetstream-cloud.org  \n",
       "20                  bigred2.uits.iu.edu  \n",
       "21              kingspeak.chpc.utah.edu  \n",
       "22                    alamo.uthscsa.edu  \n",
       "23                       comet.sdsc.edu  \n",
       "24            login-ld.research.siu.edu  \n",
       "25             lonestar.tacc.utexas.edu  "
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "compute_resources = pd.DataFrame(list(airavata_cli.computer_resources().items()), columns=[\"Id\", \"Name\"])\n",
    "compute_resources"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Some other custom functions which can be created"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false,
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[ApplicationInterfaceDescription(applicationName='Echo', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Input-to-Echo', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=1, metaData='')], applicationInterfaceId='Echo_3f480d1f-ea86-4018-94bb-015423d66a1c', applicationDescription='Simple Echo Application Interface', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Echo-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Echo-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Amber-Sander_e8ce4375-aa60-4dd9-aff5-61bbe1f275c0', 'Echo_19dc358d-d241-43d8-918c-f5a21a3b0845']),\n",
       " ApplicationInterfaceDescription(applicationName='Amber_Sander', applicationInputs=[InputDataObjectType(userFriendlyDescription='Heating up the system equilibration stage - 02_Heat.rst', name='Heat-Restart-File', dataStaged=False, value='', applicationArgument='-c', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Parameter and Topology coordinates - prmtop', name='Parameter-Topology-File', dataStaged=False, value='', applicationArgument='-p', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='Constant pressure and temperature for production stage - 03_Prod.in', name='Production-Control-File', dataStaged=False, value='', applicationArgument='-i', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData='')], applicationInterfaceId='Amber_Sander_27b68571-b9c0-4bd5-bd70-e29435fa81bd', applicationDescription='Assisted Model Building with Energy Refinement MD Package', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Amber-Execution-Log', value='03_Prod.out', applicationArgument='-o', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Execution-Summary', value='03_Prod.info', applicationArgument='-inf', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Restart-File', value='03_Prod.rst', applicationArgument='-r', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Amber-Trajectory-File', value='03_Prod.mdcrd', applicationArgument='-x', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3)], applicationModules=['Amber-Sander_e8ce4375-aa60-4dd9-aff5-61bbe1f275c0']),\n",
       " ApplicationInterfaceDescription(applicationName='Gaussian', applicationInputs=[InputDataObjectType(userFriendlyDescription='Gaussian input file specifying desired calculation type, model chemistry, molecular system and other parameters.', name='Input-File', dataStaged=False, value='gaussian.com', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c', applicationDescription='Gaussian provides capabilities for electronic structure modeling.', applicationOutputs=[OutputDataObjectType(dataMovement=True, name='Gaussian-Application-Output', value='gaussian.log', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=True, name='Gaussian-Checkpoint-File', value='*.chk', applicationArgument='', isRequired=False, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Gaussian-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Gaussian-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Gaussian_57eb2905-1cd8-400e-ad40-cadfba8f434f']),\n",
       " ApplicationInterfaceDescription(applicationName='AutoDock', applicationInputs=[InputDataObjectType(userFriendlyDescription='hsg1.maps.fld', name='HSG1-Maps-FLD', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='AD4_parameters.dat', name='Input-File-DAT', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='ind.dpf', name='Input-File-DPF', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='AutoDock_a43d41f6-febf-4172-963c-4b67b8452180', applicationDescription='AutoDock suite of automated docking tools', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='AutoDock-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='AutoDock-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['AutoDock_24d6d7da-1160-45b0-9958-63bcc9044804']),\n",
       " ApplicationInterfaceDescription(applicationName='Gromacs', applicationInputs=[InputDataObjectType(userFriendlyDescription='Trajectory Coordinates Molecular Structure in Gromos87 format - pdb1y6l-EM-vacuum.gro', name='Coordinate-File', dataStaged=False, value='', applicationArgument='-c', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='Coordinates velocities, molecular topology and simulation parameters - pdb1y6l-EM-vacuum.tpr\\r\\n-v -deffnm', name='Portable-Input-Binary-File', dataStaged=False, value='', applicationArgument='-s', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='GROMACS_f0773c7e-9d89-4ad4-aa76-c3aefa2ebe78', applicationDescription='GROMACS Molecular Dynamics Package', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Gromacs-Execution-Log', value='pdb1y6l-EM-vacuum.tpr.log', applicationArgument='-g', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Gromacs-Portable-Energy-File', value='pdb1y6l-EM-vacuum.tpr.edr', applicationArgument='-e', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Gromacs-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Gromacs-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=5)], applicationModules=['Gromacs_17f97a2e-bdea-4075-9425-6bde4a8d1317']),\n",
       " ApplicationInterfaceDescription(applicationName='Lammps_BR2', applicationInputs=[InputDataObjectType(userFriendlyDescription='Friction Simulation Input - in.friction', name='Friction-Simulation-Input', dataStaged=False, value='', applicationArgument='-cuda off -suffix gpu <', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Lammps_BR2_965cdc59-f6c8-4146-ad27-e26a53b75c12', applicationDescription='Large-scale Atomic/Molecular Massively Parallel Simulator', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Lammps-Application-Output', value='log.lammps', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Lammps-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Lammps-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Lammps_1f150b05-6295-43c5-8040-27992693cef6']),\n",
       " ApplicationInterfaceDescription(applicationName='NWChem', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Water-Molecule-Input', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='NWChem_461f6aae-5bab-43cf-8db9-02f472054bad', applicationDescription='Ab initio computational chemistry software package', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='NWChem-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='NWChem-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['NWChem_2f38a95e-c2aa-4db3-b1bf-2adb006a34bc']),\n",
       " ApplicationInterfaceDescription(applicationName='Gamess_BR2', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='', name='PPN', dataStaged=False, value='16', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Processes-Per-Job', dataStaged=False, value='16', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Version', dataStaged=False, value='01', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData='')], applicationInterfaceId='Gamess_BR2_55f48919-c067-4c72-9a83-3d02325857a7', applicationDescription='Gamess Application in BigRedII', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Gamess-Standard-out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Gamess_Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6)], applicationModules=['Gamess_BR2_5c979001-d994-47fb-a9af-5227ff5c5c55']),\n",
       " ApplicationInterfaceDescription(applicationName='NEK5000', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Basename', dataStaged=False, value='nek5kbasename', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=0, metaData=''), InputDataObjectType(userFriendlyDescription='.rea File', name='Runtime-Parameter-File', dataStaged=False, value='nek5kbasename.rea', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='SIZE File', name='Size-for-Memory-Allocation', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='.usr File', name='User-Subroutine-File', dataStaged=False, value='nek5kbasename.usr', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData='')], applicationInterfaceId='NEK5000_8759b170-f825-444a-a86c-7927c4133b7a', applicationDescription='', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='NEK5000-Compilation-Output', value='compiler.out', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='NEK5000-Output_tarball', value='nek5kbasename.tgz', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='NEK5000-Session-Out', value='session.log', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='NEK5000-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='NEK5000-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['NEK5000_35922b60-f0ad-41dd-8b3c-7877617767d8']),\n",
       " ApplicationInterfaceDescription(applicationName='Abinit', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='ModulePath', dataStaged=False, value='$MODULEPATH', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='01h.pspgth', name='Pspgth-Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='tbase1_files.in', name='Tbase-Input-File-1', dataStaged=False, value='', applicationArgument='<', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='tbase1_2.in', name='Tbase-Input-File-2', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData='')], applicationInterfaceId='Abinit_5d1f0755-c879-41b5-a3d0-9dc5672e33c7', applicationDescription='ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT)', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Abinit-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Abinit-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Application-Out', value='tbase1_2.out', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3)], applicationModules=['Abinit_34e497ac-28cd-42a2-afe0-1ee99f173c6d']),\n",
       " ApplicationInterfaceDescription(applicationName='Quantum_Espresso', applicationInputs=[InputDataObjectType(userFriendlyDescription='AI_Metal_Input_File - Al.sample.in', name='AI-Primitive-Cell', dataStaged=False, value='', applicationArgument='<', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Constant pressure and temperature for production stage - Al.pz-vbc.UPF', name='AI-Pseudopotential-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=0, metaData='')], applicationInterfaceId='Quantum_Espresso_d83e7aac-9ccc-451b-b856-d92f5e7b7372', applicationDescription='Nanoscale electronic-structure calculations and materials modeling', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Quantum-Espresso-Execution-Log', value='Al.sample.out', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='QuantumEspresso-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='QuantumEspresso-StandardOut', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Quantum_Espresso_cf47dccc-c870-4e76-be68-784a1574426e']),\n",
       " ApplicationInterfaceDescription(applicationName='Lammps', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Friction-Simulation-Input', dataStaged=False, value='', applicationArgument='<', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Lammps_1284f9d9-d039-47ec-a885-6792caa26510', applicationDescription='Large-scale Atomic/Molecular Massively Parallel Simulator', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Lammps-Application-Output', value='log.lammps', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Lammps-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Lammps-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Lammps_4e799726-669e-4b87-9a7d-9d567d83c1c7']),\n",
       " ApplicationInterfaceDescription(applicationName='CP2K', applicationInputs=[InputDataObjectType(userFriendlyDescription='Input file for CP2K - fayalite.inp', name='Input-File-INP', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='CP2K_b53107d7-bda8-44a2-a724-fed43d056e4e', applicationDescription='CP2K Test Application Module', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='CP2K-Application-Output', value='cp2k.out', applicationArgument='>&', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='CP2K-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='CP2K-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['CP2K_3d1895c9-03e1-4ba7-96b3-94bf2c88c865']),\n",
       " ApplicationInterfaceDescription(applicationName='Phasta_P', applicationInputs=[InputDataObjectType(userFriendlyDescription='Mesh Description - geom.sms', name='Mesh-Description-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Parasolid-Geometric-Model', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='problem definition - geom.smd', name='Problem-Definition', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='solver parameters solver.inp', name='Solver-Input-Parameters', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=4, metaData='')], applicationInterfaceId='Phasta_P_f5398ee4-d6f0-4ada-8add-46747ea59449', applicationDescription='Parallel version of PHASTA', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Phasta-Output-TAR', value='PHASTA_Output.tar.gz', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='PhastaP-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='PhastaP-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Phasta_P_681394ed-212a-404e-b336-e5d41593016f']),\n",
       " ApplicationInterfaceDescription(applicationName='Gamess', applicationInputs=[InputDataObjectType(userFriendlyDescription='Gamess Input file', name='Input-File', dataStaged=True, value='gamess.inp', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='', name='PPN', dataStaged=False, value='4', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Version', dataStaged=False, value='00', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData='')], applicationInterfaceId='Gamess_43fd2803-f388-4b79-b131-ec52ac023b5b', applicationDescription='Gamess Application', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Gamess-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Gamess-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Gamess_6ed12ada-a6a7-4df5-b044-b9a5e2b0c49b']),\n",
       " ApplicationInterfaceDescription(applicationName='Tinker_Monte', applicationInputs=[InputDataObjectType(userFriendlyDescription='Tinker monte input_4', name='Ctc', dataStaged=False, value='C', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_2', name='keyf', dataStaged=False, value='O16.key', applicationArgument='-k', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_7', name='Rconv', dataStaged=False, value='0.01', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=2, inputOrder=7, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_3', name='stps', dataStaged=False, value='20000', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_5', name='stpsZ', dataStaged=False, value='3.0', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=5, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_6', name='temp', dataStaged=False, value='298', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=6, metaData=''), InputDataObjectType(userFriendlyDescription='Tinker monte input_1', name='xyzf', dataStaged=False, value='O16.xyz', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Tinker_monte_d80b010e-c22c-471d-a5d8-ac7c4dd2e429', applicationDescription='Grid Chem Tinker Monte Application', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='TinkerMonte-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='TinkerMonte-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Tinker_Monte_b11b893a-626b-4778-997a-2da92537b4b7']),\n",
       " ApplicationInterfaceDescription(applicationName='CPMD', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='INP-Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Define PLIBRARY as a prejob command', name='PPLibrary', dataStaged=False, value='$PPLIBRARY', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData='')], applicationInterfaceId='CPMD_3afef8de-1252-407b-b768-28f58ed41fa3', applicationDescription='parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='CPMD-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='CPMD-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=True, name='CPMD.Out', value='CPMD.out', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=True, name='CPMD.restart', value='RESTART.1', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3)], applicationModules=['CPMD_6870dafa-e2e3-4fe6-a0e2-5b11c1436af4']),\n",
       " ApplicationInterfaceDescription(applicationName='QChem', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='IN-Input-File', dataStaged=False, value='', applicationArgument='-nt 24', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData='')], applicationInterfaceId='QChem_5e5a711f-18a3-459a-bfe2-c6fbf686b5b1', applicationDescription='Quantum Chemistry Application', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='QChem-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='QChem-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Qchem.Output', value='QChem.out', applicationArgument='>', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3)], applicationModules=['QChem_9214bc96-2bf8-4ba2-b717-a1cd4dc98a4f']),\n",
       " ApplicationInterfaceDescription(applicationName='DDSCat', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='PAR-Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='', name='TAB-Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData='')], applicationInterfaceId='DDSCat_e6ab3de1-9d8c-4c89-878a-d8cb84b6619b', applicationDescription='Discrete Dipole Approximation Scattering (DDSCAT) code', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='DDSCat-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='DDSCat-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='DDSCat.out', value='DDSCat.out', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3)], applicationModules=['DDSCat_b01bf3eb-7e19-4ebe-bd18-32af7c81e5df']),\n",
       " ApplicationInterfaceDescription(applicationName='DFTB+', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='DFTB-Input', dataStaged=False, value='dftb_in.hsd', applicationArgument='', isRequired=True, standardInput=True, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='DFTB+_ac6c3ae2-8367-4433-b3bd-8146b9125c4a', applicationDescription='Semi empirical Quantum Chemistry', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='DFTB-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='DFTB-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['DFTB+_9add4ce4-7f57-495a-bb1a-eff570b56441']),\n",
       " ApplicationInterfaceDescription(applicationName='WRF', applicationInputs=[InputDataObjectType(userFriendlyDescription='Namelist Configuration File - namelist.input', name='Configuration-Namelist-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Boundary Conditions File - wrfbdy_d01', name='WRF-Boundary-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='Initial Conditions File - wrfinput_d01', name='WRF-Initial-Conditions', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData='')], applicationInterfaceId='WRF_b9c0e9df-8a39-4317-a689-36025a45ec20', applicationDescription='Weather Research and Focasting Application', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='WRF-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='WRF-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='WRF_Application_Execution_Log', value='rsl.out.0000', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3)], applicationModules=['WRF_17f339d1-92e3-4eb9-a72e-cb4961d685a9']),\n",
       " ApplicationInterfaceDescription(applicationName='Gamess_Stampede', applicationInputs=[InputDataObjectType(userFriendlyDescription='Gamess Input file', name='Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='', name='PPN', dataStaged=False, value='8', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData='')], applicationInterfaceId='Gamess_Stampede_c892ddc8-9da3-4d2d-98da-b5ccbe937f4e', applicationDescription='Gamess Application on Stampede', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Gamess-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Gamess-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Gamess_Stampede_1eb6c1f7-9292-456d-b1c3-1b88c3936b68']),\n",
       " ApplicationInterfaceDescription(applicationName='Molcas', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Molcas-Input', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=True, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Molcas_1b42f617-a3eb-4d38-b9ad-986fc57a36ed', applicationDescription='Computational Chemistry QM', applicationOutputs=[OutputDataObjectType(dataMovement=True, name='Molcas-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=True, name='Molcas-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Molcas_f7dd5a10-0f8d-43b0-9c88-ec1a648dd037']),\n",
       " ApplicationInterfaceDescription(applicationName='Abaqus', applicationInputs=[InputDataObjectType(userFriendlyDescription='Main input files for the application', name='Abacus-INP-File', dataStaged=False, value='', applicationArgument='-input', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='String for job canonical name', name='ABQ_JOB', dataStaged=False, value='$abq_job', applicationArgument='-job', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='cpus for the job', name='CPUs', dataStaged=False, value='24', applicationArgument='-cpus', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='--datafile_file or --datafile2_file2.tar', name='Datach', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=10, metaData=''), InputDataObjectType(userFriendlyDescription='-double (precision)', name='Double', dataStaged=False, value='double', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=11, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Interactive', dataStaged=False, value='interactive', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=7, metaData=''), InputDataObjectType(userFriendlyDescription='availabl memory % for the job on the node', name='Memory', dataStaged=False, value='80%', applicationArgument='-mem', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=5, metaData=''), InputDataObjectType(userFriendlyDescription='mp_mode = parallalism type', name='MP_MODE', dataStaged=False, value='threads', applicationArgument='-mp_mode', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=6, metaData=''), InputDataObjectType(userFriendlyDescription='oldjob=restart_file_stem (a path?!)', name='Restart_Option', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=9, metaData=''), InputDataObjectType(userFriendlyDescription='scratch directory definition', name='Scratch', dataStaged=False, value='$PWD', applicationArgument='-scratch', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='--user_sub file argument -a -n $lib for libraries', name='User_Sub_Option', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=8, metaData='')], applicationInterfaceId='Abaqus_cfdf8945-e173-4265-b15a-ec6ae4ccedfa', applicationDescription='Finite Element Analysis, Enginnering', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Abaqus-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Abaqus-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Abaqus_96a88449-b4cd-4a39-8ad2-26abfbdd4b3e']),\n",
       " ApplicationInterfaceDescription(applicationName='Vina_Multiple', applicationInputs=[InputDataObjectType(userFriendlyDescription='config\\r\\nShould not contain ligand description', name='Config-File', dataStaged=False, value='conf.txt', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='ligands.zip', name='Multi-Ligand-Zip-File', dataStaged=False, value='ligands.zip', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='receptor.pdbqt', name='Receptor-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Vina_Multiple_53fc0aaa-20d4-4c80-8797-0a4bcc20bc61', applicationDescription='Autodock Vina with multiple ligands', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='AutoDock-Vina-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='AutoDock-Vina-Standard-out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Vina_Multiple_d0292a2f-6555-4364-b3be-d84b47ceeced']),\n",
       " ApplicationInterfaceDescription(applicationName='AutoDock_Vina', applicationInputs=[InputDataObjectType(userFriendlyDescription='config', name='Config-File', dataStaged=False, value='', applicationArgument='--config', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='ligand1.pdbqt', name='Ligand-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='receptor.pdbqt', name='Receptor-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData='')], applicationInterfaceId='AutoDock_Vina_c9436341-aa2e-4ccd-8ac0-1db3e176f962', applicationDescription='', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='AutoDock-Vina-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='AutoDock-Vina-Standard-out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['AutoDock_Vina_2bf91893-d75b-4478-9039-1aed216b5866']),\n",
       " ApplicationInterfaceDescription(applicationName='PSI4.0', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Psi-Input-File', dataStaged=False, value='input.dat', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=3, inputOrder=1, metaData='')], applicationInterfaceId='PSI4.0_440faf02-3db3-4537-b66b-0465099e0f7e', applicationDescription='Psi4 is an ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties.', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Psi-Output', value='output.dat', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='PSI4.0-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='PSI4.0-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['PSI4.0_80cfebe1-fef8-49c3-a8eb-00b735bd817f']),\n",
       " ApplicationInterfaceDescription(applicationName='Abaqus-6.13-3', applicationInputs=[InputDataObjectType(userFriendlyDescription='Main input files for the application', name='Abacus-INP-File', dataStaged=False, value='', applicationArgument='-input', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='String for job canonical name', name='ABQ_JOB', dataStaged=False, value='$abq_job', applicationArgument='-job', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='cpus for the job', name='CPUs', dataStaged=False, value='24', applicationArgument='-cpus', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='--datafile_file or --datafile2_file2.tar', name='Datach', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=10, metaData=''), InputDataObjectType(userFriendlyDescription='-double (precision)', name='Double', dataStaged=False, value='double', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=11, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Interactive', dataStaged=False, value='interactive', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=7, metaData=''), InputDataObjectType(userFriendlyDescription='availabl memory % for the job on the node', name='Memory', dataStaged=False, value='80%', applicationArgument='-mem', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=5, metaData=''), InputDataObjectType(userFriendlyDescription='mp_mode = parallalism type', name='MP_MODE', dataStaged=False, value='threads', applicationArgument='-mp_mode', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=6, metaData=''), InputDataObjectType(userFriendlyDescription='oldjob=restart_file_stem (a path?!)', name='Restart_Option', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=9, metaData=''), InputDataObjectType(userFriendlyDescription='scratch directory definition', name='Scratch', dataStaged=False, value='$PWD', applicationArgument='-scratch', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='--user_sub file argument -a -n $lib for libraries', name='User_Sub_Option', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=False, type=0, inputOrder=8, metaData='')], applicationInterfaceId='Abaqus-6.13-3_43054f54-87e5-493b-8788-899028534465', applicationDescription='Finite Element Analysis, Enginnering', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Abaqus-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Abaqus-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Abaqus-6.13-3_be287dc9-4347-4fba-a308-465010e5f7d0']),\n",
       " ApplicationInterfaceDescription(applicationName='Echo-Marcus', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='Input to Echo', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=1, metaData='')], applicationInterfaceId='Echo-Marcus_c12b0256-8033-4a2b-938c-7bcadb2e87e3', applicationDescription='Simple Echo Application Interface', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Echo-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Echo-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Echo_19dc358d-d241-43d8-918c-f5a21a3b0845']),\n",
       " ApplicationInterfaceDescription(applicationName='Trinity', applicationInputs=[InputDataObjectType(userFriendlyDescription='', name='CPU', dataStaged=False, value='4', applicationArgument='--cpu', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=1, inputOrder=6, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Max-Heapspace', dataStaged=False, value='2G', applicationArgument='--bflyHeapSpaceMax', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=7, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Max_Memory', dataStaged=False, value='4G', applicationArgument='--max_memory', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Rna-Seq-Right-Input', dataStaged=False, value='', applicationArgument='--right', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=4, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Rna-Seq_Left_Input', dataStaged=False, value='', applicationArgument='--left', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='', name='Seq_type', dataStaged=False, value='fq', applicationArgument='--seqType', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='', name='SS-Lib_Type', dataStaged=False, value='RF', applicationArgument='--SS_lib_typ', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=0, inputOrder=5, metaData='')], applicationInterfaceId='Trinity_82ec9f8d-790f-4909-9ad1-e010632736f9', applicationDescription='De novo reconstruction of transcriptomes from RNA-seq data', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Trinity_Execution-Log', value='trinity.timing', applicationArgument='--output ./trinity_out_dir', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Trinity_FASTA_File', value='Trinity.fasta', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=True, name='Trinity_Standard-Error', value='Trinity_stderror', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=0), OutputDataObjectType(dataMovement=True, name='Trinity_Stdout', value='Trinity_stdout', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=0)], applicationModules=['Trinity_b32b104d-501e-42f6-a35a-18540190cf2e']),\n",
       " ApplicationInterfaceDescription(applicationName='Gaussian16', applicationInputs=[InputDataObjectType(userFriendlyDescription='Gaussian input file specifying desired calculation type, model chemistry, molecular system and other parameters.', name='Input-File', dataStaged=False, value='', applicationArgument='', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData='')], applicationInterfaceId='Gaussian16_8e065560-9b1e-443c-b59c-e919b677039d', applicationDescription='Gaussian provides capabilities for electronic structure modeling.', applicationOutputs=[OutputDataObjectType(dataMovement=True, name='Gaussian-Application-Output', value='gaussian.log', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Gaussian-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Gaussian-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5)], applicationModules=['Gaussian16_3e749c7d-6b02-4356-acc3-a58423210bda']),\n",
       " ApplicationInterfaceDescription(applicationName='Amber_pmemd', applicationInputs=[InputDataObjectType(userFriendlyDescription='Heating up the system equilibration stage - 02_Heat.rst', name='Heat-Restart-File', dataStaged=False, value='', applicationArgument='-c', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Parameter and Topology coordinates - prmtop', name='Parameter-Topology-File', dataStaged=False, value='', applicationArgument='-p', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='Constant pressure and temperature for production stage - 03_Prod.in', name='Production-Control-File', dataStaged=False, value='', applicationArgument='-i', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData=''), InputDataObjectType(userFriendlyDescription='The reference structure is specified using the -ref flag in the same manner as is used for Cartesian coordinate restraints (NTR=1). Targeted MD can be used with\\r\\nor without positional restraints.', name='Reference-coordinate-file', dataStaged=False, value='', applicationArgument='-ref', isRequired=False, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=4, metaData='')], applicationInterfaceId='Amber_pmemd_274841f0-3b5e-4b74-8eb1-dd66283c5057', applicationDescription='Assisted Model Building with Energy Refinement MD Package', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Amber-Execution-Log', value='03_Prod.out', applicationArgument='-o', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Execution-Summary', value='03_Prod.info', applicationArgument='-inf', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Restart-File', value='03_Prod.rst', applicationArgument='-r', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Amber-Trajectory-File', value='03_Prod.mdcrd', applicationArgument='-x', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3)], applicationModules=['Amber-Sander_e8ce4375-aa60-4dd9-aff5-61bbe1f275c0']),\n",
       " ApplicationInterfaceDescription(applicationName='Amber-pmemd-min', applicationInputs=[InputDataObjectType(userFriendlyDescription='Heating up the system equilibration stage - 02_Heat.rst', name='Amber-Coordinates-file', dataStaged=False, value='', applicationArgument='-c', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=1, metaData=''), InputDataObjectType(userFriendlyDescription='Parameter and Topology coordinates - prmtop', name='Parameter-Topology-File', dataStaged=False, value='', applicationArgument='-p', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=3, metaData=''), InputDataObjectType(userFriendlyDescription='Input file with simulations conditions', name='Production-Control-Input-File', dataStaged=False, value='', applicationArgument='-i', isRequired=True, standardInput=False, requiredToAddedToCommandLine=True, type=3, inputOrder=2, metaData='')], applicationInterfaceId='Amber-pmemd-min_10df4de9-bc80-491b-878b-97742b9519ae', applicationDescription='Assisted Model Building with Energy Refinement MD Package', applicationOutputs=[OutputDataObjectType(dataMovement=False, name='Amber-Execution-Log', value='03_Prod.out', applicationArgument='-o', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Execution-Summary', value='03_Prod.info', applicationArgument='-inf', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Restart-File', value='03_Prod.rst', applicationArgument='-r', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Error', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=6), OutputDataObjectType(dataMovement=False, name='Amber-Standard-Out', value='', applicationArgument='', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=False, outputStreaming=False, type=5), OutputDataObjectType(dataMovement=False, name='Amber-Trajectory-File', value='03_Prod.mdcrd', applicationArgument='-x', isRequired=True, searchQuery='', location='', requiredToAddedToCommandLine=True, outputStreaming=False, type=3)], applicationModules=['Amber-Sander_e8ce4375-aa60-4dd9-aff5-61bbe1f275c0'])]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "airavata_cli.list_of_applications('seagrid')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[ApplicationModule(appModuleName='Echo', appModuleVersion='', appModuleId='Echo_19dc358d-d241-43d8-918c-f5a21a3b0845', appModuleDescription='A Simple Echo Application'),\n",
       " ApplicationModule(appModuleName='Amber_Sander', appModuleVersion='', appModuleId='Amber-Sander_e8ce4375-aa60-4dd9-aff5-61bbe1f275c0', appModuleDescription='Assisted Model Building with Energy Refinement MD Package'),\n",
       " ApplicationModule(appModuleName='Gaussian', appModuleVersion='', appModuleId='Gaussian_57eb2905-1cd8-400e-ad40-cadfba8f434f', appModuleDescription='Gaussian provides capabilities for electronic structure modeling.'),\n",
       " ApplicationModule(appModuleName='AutoDock', appModuleVersion='', appModuleId='AutoDock_24d6d7da-1160-45b0-9958-63bcc9044804', appModuleDescription='AutoDock suite of automated docking tools'),\n",
       " ApplicationModule(appModuleName='Gromacs', appModuleVersion='', appModuleId='Gromacs_17f97a2e-bdea-4075-9425-6bde4a8d1317', appModuleDescription='GROMACS Molecular Dynamics Package'),\n",
       " ApplicationModule(appModuleName='Lammps_BR2', appModuleVersion='', appModuleId='Lammps_1f150b05-6295-43c5-8040-27992693cef6', appModuleDescription='Large-scale Atomic/Molecular Massively Parallel Simulator for BigRedII'),\n",
       " ApplicationModule(appModuleName='NWChem', appModuleVersion='', appModuleId='NWChem_2f38a95e-c2aa-4db3-b1bf-2adb006a34bc', appModuleDescription='Ab initio computational chemistry software package'),\n",
       " ApplicationModule(appModuleName='Gamess_BR2', appModuleVersion='', appModuleId='Gamess_BR2_5c979001-d994-47fb-a9af-5227ff5c5c55', appModuleDescription='A Gamess Application in BigRedII'),\n",
       " ApplicationModule(appModuleName='NEK5000', appModuleVersion='', appModuleId='NEK5000_35922b60-f0ad-41dd-8b3c-7877617767d8', appModuleDescription='Open source, highly scalable and portable spectral element code designed to simulate fluid  flows about objects.'),\n",
       " ApplicationModule(appModuleName='Abinit', appModuleVersion='', appModuleId='Abinit_34e497ac-28cd-42a2-afe0-1ee99f173c6d', appModuleDescription='ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT)'),\n",
       " ApplicationModule(appModuleName='Quantum_Espresso', appModuleVersion='', appModuleId='Quantum_Espresso_cf47dccc-c870-4e76-be68-784a1574426e', appModuleDescription='Nanoscale electronic-structure calculations and materials modeling'),\n",
       " ApplicationModule(appModuleName='Lammps', appModuleVersion='', appModuleId='Lammps_4e799726-669e-4b87-9a7d-9d567d83c1c7', appModuleDescription='Large-scale Atomic/Molecular Massively Parallel Simulator'),\n",
       " ApplicationModule(appModuleName='CP2K', appModuleVersion='', appModuleId='CP2K_3d1895c9-03e1-4ba7-96b3-94bf2c88c865', appModuleDescription='CP2K Test Application Module'),\n",
       " ApplicationModule(appModuleName='Phasta_P', appModuleVersion='', appModuleId='Phasta_P_681394ed-212a-404e-b336-e5d41593016f', appModuleDescription='Parallel version of PHASTA'),\n",
       " ApplicationModule(appModuleName='Gamess', appModuleVersion='', appModuleId='Gamess_6ed12ada-a6a7-4df5-b044-b9a5e2b0c49b', appModuleDescription='Gamess Application'),\n",
       " ApplicationModule(appModuleName='Tinker_Monte', appModuleVersion='', appModuleId='Tinker_Monte_b11b893a-626b-4778-997a-2da92537b4b7', appModuleDescription='GridChem Tinker Monte Application'),\n",
       " ApplicationModule(appModuleName='CPMD', appModuleVersion='', appModuleId='CPMD_6870dafa-e2e3-4fe6-a0e2-5b11c1436af4', appModuleDescription='parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.'),\n",
       " ApplicationModule(appModuleName='QChem', appModuleVersion='', appModuleId='QChem_9214bc96-2bf8-4ba2-b717-a1cd4dc98a4f', appModuleDescription='Quantum Chemistry Application'),\n",
       " ApplicationModule(appModuleName='DDSCat', appModuleVersion='', appModuleId='DDSCat_b01bf3eb-7e19-4ebe-bd18-32af7c81e5df', appModuleDescription='Discrete Dipole Approximation Scattering (DDSCAT) code'),\n",
       " ApplicationModule(appModuleName='DFTB+', appModuleVersion='', appModuleId='DFTB+_9add4ce4-7f57-495a-bb1a-eff570b56441', appModuleDescription='Semi empirical Quantum Chemistry'),\n",
       " ApplicationModule(appModuleName='WRF', appModuleVersion='', appModuleId='WRF_17f339d1-92e3-4eb9-a72e-cb4961d685a9', appModuleDescription='Weather Research and Forecasting'),\n",
       " ApplicationModule(appModuleName='Gamess_Stampede', appModuleVersion='', appModuleId='Gamess_Stampede_1eb6c1f7-9292-456d-b1c3-1b88c3936b68', appModuleDescription='Gamess Application Module in Stampede'),\n",
       " ApplicationModule(appModuleName='Molcas', appModuleVersion='', appModuleId='Molcas_f7dd5a10-0f8d-43b0-9c88-ec1a648dd037', appModuleDescription='Computational Chemistry QM'),\n",
       " ApplicationModule(appModuleName='Abaqus', appModuleVersion='', appModuleId='Abaqus_96a88449-b4cd-4a39-8ad2-26abfbdd4b3e', appModuleDescription='Finite Element Analysis, Enginnering'),\n",
       " ApplicationModule(appModuleName='test', appModuleVersion='', appModuleId='test_0282ea6b-8203-405f-b115-f86b4cd3b9e3', appModuleDescription=''),\n",
       " ApplicationModule(appModuleName='AutoDock_Vina', appModuleVersion='', appModuleId='AutoDock_Vina_2bf91893-d75b-4478-9039-1aed216b5866', appModuleDescription=''),\n",
       " ApplicationModule(appModuleName='Vina_Multiple', appModuleVersion='', appModuleId='Vina_Multiple_d0292a2f-6555-4364-b3be-d84b47ceeced', appModuleDescription='AutoDock Vina to launch with multiple Ligands'),\n",
       " ApplicationModule(appModuleName='PSI4.0', appModuleVersion='', appModuleId='PSI4.0_80cfebe1-fef8-49c3-a8eb-00b735bd817f', appModuleDescription='Psi4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties.'),\n",
       " ApplicationModule(appModuleName='Abaqus-6.13-3', appModuleVersion='6.13-3', appModuleId='Abaqus-6.13-3_be287dc9-4347-4fba-a308-465010e5f7d0', appModuleDescription='Finite Element Analysis, Engineering'),\n",
       " ApplicationModule(appModuleName='Trinity', appModuleVersion='2.2.0', appModuleId='Trinity_b32b104d-501e-42f6-a35a-18540190cf2e', appModuleDescription='De novo reconstruction of transcriptomes from RNA-seq data'),\n",
       " ApplicationModule(appModuleName='Gaussian16', appModuleVersion='Gaussian 16:  ES64L-G16RevA.03', appModuleId='Gaussian16_3e749c7d-6b02-4356-acc3-a58423210bda', appModuleDescription='Gaussian computes molecular electronic properties using ab inito and dft techniques'),\n",
       " ApplicationModule(appModuleName='Amber_pmemd', appModuleVersion='', appModuleId='Amber_pmemd_d5011de7-7544-4af0-a6e0-384f85127766', appModuleDescription='Assisted Model Building with Energy Refinement MD Package with Particle Mesh Ewald summation for electrostatic interactions')]"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "airavata_cli.module_descriptions('seagrid')     "
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": false
   },
   "source": [
    "##Setting the time parameters"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "start= datetime(2015,7,16,15,10)\n",
    "end= datetime(2016,7,17,11,59)\n",
    "fromTime = calendar.timegm(start.timetuple())\n",
    "toTime = calendar.timegm(end.timetuple())"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Getting the list of Experiments executed during the above mentioned period"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "ds=airavata_cli.experiment_statistics(\"seagrid\", fromTime*1000, toTime*1000)\n",
    "#ds"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>User Name</th>\n",
       "      <th>Name</th>\n",
       "      <th>Status Update</th>\n",
       "      <th>Resource Host ID</th>\n",
       "      <th>Project ID</th>\n",
       "      <th>Creation Time</th>\n",
       "      <th>Experiment ID</th>\n",
       "      <th>Execution ID</th>\n",
       "      <th>Gateway ID</th>\n",
       "      <th>Experiment Status</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>spamidig</td>\n",
       "      <td>nitromethane</td>\n",
       "      <td>None</td>\n",
       "      <td>bigred2.uits.iu.edu_ac140dca-3c88-46d8-b9ed-87...</td>\n",
       "      <td>XSEDE2016_91b3b903-e1d8-4959-86f4-86c30bd360a3</td>\n",
       "      <td>1468699643000</td>\n",
       "      <td>nitromethane_aeef7c36-37bd-47f4-ab58-baaf299f4da5</td>\n",
       "      <td>Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c</td>\n",
       "      <td>seagrid</td>\n",
       "      <td>COMPLETED</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>spamidig</td>\n",
       "      <td>norbornane</td>\n",
       "      <td>None</td>\n",
       "      <td>comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...</td>\n",
       "      <td>XSEDE2016_91b3b903-e1d8-4959-86f4-86c30bd360a3</td>\n",
       "      <td>1468693309000</td>\n",
       "      <td>norbornane_a9185079-644f-497b-8a32-fc57cd6f21fd</td>\n",
       "      <td>Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c</td>\n",
       "      <td>seagrid</td>\n",
       "      <td>COMPLETED</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>SEAGRID1</td>\n",
       "      <td>norbornane</td>\n",
       "      <td>None</td>\n",
       "      <td>comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...</td>\n",
       "      <td>SeagridTestProject1_5d4b4780-e893-406e-a857-6f...</td>\n",
       "      <td>1468693286000</td>\n",
       "      <td>norbornane_522de3d6-eacf-483d-b59e-65f3935ab28b</td>\n",
       "      <td>Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c</td>\n",
       "      <td>seagrid</td>\n",
       "      <td>COMPLETED</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>XSEDE_DEMO_1</td>\n",
       "      <td>norbornane</td>\n",
       "      <td>None</td>\n",
       "      <td>comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...</td>\n",
       "      <td>XSEDE16DEMOProject1_64d33174-3b6e-4657-a278-90...</td>\n",
       "      <td>1468693285000</td>\n",
       "      <td>norbornane_a735083f-2151-4f54-9d21-ad034188bd6c</td>\n",
       "      <td>Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c</td>\n",
       "      <td>seagrid</td>\n",
       "      <td>COMPLETED</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>jeffdkinnison</td>\n",
       "      <td>gaussian</td>\n",
       "      <td>None</td>\n",
       "      <td>comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...</td>\n",
       "      <td>xsedetutorial_4459e403-4ea5-41da-bc89-a356cf03...</td>\n",
       "      <td>1468691664000</td>\n",
       "      <td>gaussian_bcee6269-64b0-4417-beaa-f7d0f59f015a</td>\n",
       "      <td>Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c</td>\n",
       "      <td>seagrid</td>\n",
       "      <td>COMPLETED</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "       User Name          Name Status Update  \\\n",
       "0       spamidig  nitromethane          None   \n",
       "1       spamidig    norbornane          None   \n",
       "2       SEAGRID1    norbornane          None   \n",
       "3   XSEDE_DEMO_1    norbornane          None   \n",
       "4  jeffdkinnison      gaussian          None   \n",
       "\n",
       "                                    Resource Host ID  \\\n",
       "0  bigred2.uits.iu.edu_ac140dca-3c88-46d8-b9ed-87...   \n",
       "1  comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...   \n",
       "2  comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...   \n",
       "3  comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...   \n",
       "4  comet.sdsc.edu_91b900df-0ee0-4909-89b3-98e8f64...   \n",
       "\n",
       "                                          Project ID  Creation Time  \\\n",
       "0     XSEDE2016_91b3b903-e1d8-4959-86f4-86c30bd360a3  1468699643000   \n",
       "1     XSEDE2016_91b3b903-e1d8-4959-86f4-86c30bd360a3  1468693309000   \n",
       "2  SeagridTestProject1_5d4b4780-e893-406e-a857-6f...  1468693286000   \n",
       "3  XSEDE16DEMOProject1_64d33174-3b6e-4657-a278-90...  1468693285000   \n",
       "4  xsedetutorial_4459e403-4ea5-41da-bc89-a356cf03...  1468691664000   \n",
       "\n",
       "                                       Experiment ID  \\\n",
       "0  nitromethane_aeef7c36-37bd-47f4-ab58-baaf299f4da5   \n",
       "1    norbornane_a9185079-644f-497b-8a32-fc57cd6f21fd   \n",
       "2    norbornane_522de3d6-eacf-483d-b59e-65f3935ab28b   \n",
       "3    norbornane_a735083f-2151-4f54-9d21-ad034188bd6c   \n",
       "4      gaussian_bcee6269-64b0-4417-beaa-f7d0f59f015a   \n",
       "\n",
       "                                    Execution ID Gateway ID Experiment Status  \n",
       "0  Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c    seagrid         COMPLETED  \n",
       "1  Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c    seagrid         COMPLETED  \n",
       "2  Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c    seagrid         COMPLETED  \n",
       "3  Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c    seagrid         COMPLETED  \n",
       "4  Gaussian_4e76aecd-d504-4ce2-9ccf-da9550159e7c    seagrid         COMPLETED  "
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "All_Experiments = []\n",
    "for i in ds.allExperiments:\n",
    "    All_Experiments.append([i.userName, i.name, i.statusUpdateTime, i.resourceHostId, i.projectId, i.creationTime, \n",
    "                                i.experimentId, i.executionId, i.gatewayId, i.experimentStatus])\n",
    "labels = [\"User Name\", \"Name\", \"Status Update\", \"Resource Host ID\", \"Project ID\", \"Creation Time\", \"Experiment ID\", \n",
    "          \"Execution ID\", \"Gateway ID\", \"Experiment Status\"]\n",
    "df = pd.DataFrame(data=All_Experiments, columns=labels)\n",
    "df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(1519, 10)"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df.shape"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Calculating percentage use of resources"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "ls5_cn = sum([1 for x, row in df.iterrows() if row[3] == 'ls5.tacc.utexas.edu_6dd67b08-30e5-4f74-bdd6-aad1f8310ecf' and row[9] == 'COMPLETED'])\n",
    "stampede_cn = sum([1 for x, row in df.iterrows() if row[3] == 'stampede.tacc.xsede.org_bf7958ae-f9d4-468b-b146-a201fb89bf12' and row[9] == 'COMPLETED'])\n",
    "comet_cn = sum([1 for x, row in df.iterrows() if row[3] == 'comet.sdsc.edu_f24b0bba-5230-498d-97e2-46a975ee035b' and row[9] == 'COMPLETED'])\n",
    "gordon_cn= sum([1 for x, row in df.iterrows() if row[3] == 'gordon.sdsc.edu_f9363997-4614-477f-847e-79d262ee8ef7' and row[9] == 'COMPLETED'])\n",
    "#jureca_cn = sum([1 for x, row in df.iterrows() if row[3] == 'Jureca_32098185-4396-4c11-afb7-26e991a03476' and row[9] == 'COMPLETED'])\n",
    "alamo_cn = sum([1 for x, row in df.iterrows() if row[3] == 'alamo.uthscsa.edu_4793b5cc-b991-4e43-b82d-17163b64ef29' and row[9] == 'COMPLETED'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "ename": "NameError",
     "evalue": "name 'plt' is not defined",
     "output_type": "error",
     "traceback": [
      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[0;31mNameError\u001b[0m                                 Traceback (most recent call last)",
      "\u001b[0;32m<ipython-input-13-ba06eef552f2>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[1;32m      2\u001b[0m \u001b[0mcols\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0;34m[\u001b[0m\u001b[0;34m'c'\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m'm'\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m'r'\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m'w'\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m'y'\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m      3\u001b[0m \u001b[0mHosts\u001b[0m\u001b[0;34m=\u001b[0m \u001b[0;34m[\u001b[0m\u001b[0;34m\"lonestar\"\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\"stampede\"\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\"comet\"\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\"gordon\"\u001b[0m \u001b[0;34m,\u001b[0m \u001b[0;34m\"alamo\"\u001b[0m\u001b[0;34m]\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 4\u001b[0;31m plt.pie(slices,\n\u001b[0m\u001b[1;32m      5\u001b[0m         \u001b[0mlabels\u001b[0m\u001b[0;34m=\u001b[0m \u001b[0mHosts\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[1;32m      6\u001b[0m         \u001b[0mcolors\u001b[0m\u001b[0;34m=\u001b[0m\u001b[0mcols\u001b[0m\u001b[0;34m,\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n",
      "\u001b[0;31mNameError\u001b[0m: name 'plt' is not defined"
     ]
    }
   ],
   "source": [
    "slices= [ls5_cn,stampede_cn,comet_cn,gordon_cn,alamo_cn]\n",
    "cols = ['c','m','r','w','y']\n",
    "Hosts= [\"lonestar\",\"stampede\",\"comet\",\"gordon\" , \"alamo\"]\n",
    "plt.pie(slices,\n",
    "        labels= Hosts,\n",
    "        colors=cols,\n",
    "        startangle=90,\n",
    "        shadow= False,\n",
    "        autopct='%1.1f%%')\n",
    "\n",
    "plt.title('Percentage Use by Resources')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "##Percentage failed by resources"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "ls5_fn = sum([1 for x, row in df.iterrows() if row[3] == 'ls5.tacc.utexas.edu_6dd67b08-30e5-4f74-bdd6-aad1f8310ecf' and row[9] == 'FAILED'])\n",
    "stampede_fn = sum([1 for x, row in df.iterrows() if row[3] == 'stampede.tacc.xsede.org_bf7958ae-f9d4-468b-b146-a201fb89bf12' and row[9] == 'FAILED'])\n",
    "comet_fn = sum([1 for x, row in df.iterrows() if row[3] == 'comet.sdsc.edu_f24b0bba-5230-498d-97e2-46a975ee035b' and row[9] == 'FAILED'])\n",
    "gordon_fn= sum([1 for x, row in df.iterrows() if row[3] == 'gordon.sdsc.edu_f9363997-4614-477f-847e-79d262ee8ef7' and row[9] == 'FAILED'])\n",
    "#jureca_fn = sum([1 for x, row in df.iterrows() if row[3] == 'Jureca_32098185-4396-4c11-afb7-26e991a03476' and row[9] == 'FAILED'])\n",
    "alamo_fn = sum([1 for x, row in df.iterrows() if row[3] == 'alamo.uthscsa.edu_4793b5cc-b991-4e43-b82d-17163b64ef29' and row[9] == 'FAILED'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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kpIj8KCKrRKSDiLwmIstE5PWw9s4RkR9EZJ6ITBSRVBHpjxWA87WIfHmkNset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\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x97d1c88>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "slices= [ls5_fn,stampede_fn,comet_fn,gordon_fn,alamo_fn]\n",
    "cols = ['c','m','r','w','y']\n",
    "Hosts= [\"lonestar\",\"stampede\",\"comet\",\"gordon\" , \"alamo\"]\n",
    "plt.pie(slices,\n",
    "        labels= Hosts,\n",
    "        colors=cols,\n",
    "        startangle=90,\n",
    "        shadow= False,\n",
    "        autopct='%1.1f%%')\n",
    "\n",
    "plt.title('Percentage failure by Resources')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Percentage cancelled by resources"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "ls5_xn = sum([1 for x, row in df.iterrows() if row[3] == 'ls5.tacc.utexas.edu_6dd67b08-30e5-4f74-bdd6-aad1f8310ecf' and row[9] == 'CANCELED'])\n",
    "stampede_xn = sum([1 for x, row in df.iterrows() if row[3] == 'stampede.tacc.xsede.org_bf7958ae-f9d4-468b-b146-a201fb89bf12' and row[9] == 'CANCELED'])\n",
    "comet_xn = sum([1 for x, row in df.iterrows() if row[3] == 'comet.sdsc.edu_f24b0bba-5230-498d-97e2-46a975ee035b' and row[9] == 'CANCELED'])\n",
    "gordon_xn= sum([1 for x, row in df.iterrows() if row[3] == 'gordon.sdsc.edu_f9363997-4614-477f-847e-79d262ee8ef7' and row[9] == 'CANCELED'])\n",
    "#jureca_xn = sum([1 for x, row in df.iterrows() if row[3] == 'Jureca_32098185-4396-4c11-afb7-26e991a03476' and row[9] == 'CANCELED'])\n",
    "alamo_xn = sum([1 for x, row in df.iterrows() if row[3] == 'alamo.uthscsa.edu_4793b5cc-b991-4e43-b82d-17163b64ef29' and row[9] == 'CANCELED'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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UezhOHbAFqFPVA7n+CubEYOFuepyIBMi29L8B\nnEY4PIFweCQwhExmIOl0f9raisnLy1BYmKSkxKV/fxgwIJ+BA0MMGBCkpOTIxaCkpHNj9FWzI1IO\nH+4Y2hmamhI0NaU5dEhpbg7Q0hIkmQwTDMYJBpsJBA4i8l9c9yNisW3ATmAH8IGqOl3wrzLmK7Nw\nN72S19VTDAz2HoM+2w4GhxEODycQGIrq13DdfqjmdeqEeXktBAJNwH5SqUYcpxE44D0+6bB9UFXT\nnTqXMT3Awt0YY3zIJv42xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3\nxhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgf\nsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3xhgfsnA3\nxhgfsnA3xhgf+h+TPoiKLnJ7WAAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x97e6e48>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "slices= [ls5_xn,stampede_xn,comet_xn,gordon_xn,alamo_xn]\n",
    "cols = ['c','m','r','w','y']\n",
    "Hosts= [\"lonestar\",\"stampede\",\"comet\",\"gordon\" , \"alamo\"]\n",
    "plt.pie(slices,\n",
    "        labels= Hosts,\n",
    "        colors=cols,\n",
    "        startangle=90,\n",
    "        shadow= False,\n",
    "        autopct='%1.1f%%')\n",
    "\n",
    "plt.title('Percentage canceled by Resources')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Number of Experiments Canceled by a user"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "number = sum([1 for x, row in df.iterrows() if row[0] == 'smarru' and row[9] == 'CANCELED'])\n",
    "number"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Sorting users by the number of experiments cancelled/failed"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Daniel_Krzizike_550162c5-88f4-5624-cd19-1147783ec5ed        44\n",
       "Victoria_Saenz_3963bfc5-9a55-d8f4-35f2-a98819ba7825         36\n",
       "Uma_Muthurajan_912a2d20-e858-a4b4-fdbf-6cdf8ec8e182         18\n",
       "Shaoxiong_Tian_f3c15677-e1d3-c894-7539-005f6df5e1b6         18\n",
       "Borries_Demeler_02d0c21b-1adf-9414-c175-d005bb256320         9\n",
       "Akash_Bhattacharya_65724131-4b32-bec4-5974-aa29b945deaf      9\n",
       "Ge_Yu_8d9a3ed0-135a-c974-69f5-44beb56d182f                   6\n",
       "Aysha Kinjo_Demeler_6804fe7e-35ce-f604-3905-bb73330ef346     4\n",
       "Todd_Stone_8aee0ad6-f820-8584-f18a-9a0fa325fd34              4\n",
       "Chris_Pierini_1c0bf9ca-2756-f454-355c-fbce45017f8b           4\n",
       "Gary_Gorbet_84f540d7-3276-8894-a544-fae60062b41c             3\n",
       "Borries_Demeler_0b30314f-70d9-74d4-7564-d9684b1a9a13         3\n",
       "William_Dean_e199fd03-1b9a-a214-ad3f-1d25202091c9            3\n",
       "Chris_Pierini_36b27c6b-f5ad-3794-6d81-0038d249d19b           2\n",
       "Aysha_Demeler_09d108a4-4a6c-f884-e971-5ea68f402fde           1\n",
       "Claudius_Mundoma_e1c6c320-ca98-f704-255c-b44fd6642c4d        1\n",
       "KYUNG_SU_ad389f57-0594-bd44-3986-2ea1ebe42274                1\n",
       "Daniel_Krzizike_84d7ac3a-a900-aad4-790e-1797c3e2110d         1\n",
       "Borries_Demeler_7db4a2d1-66dc-6b44-3935-40bceaa3a9a3         1\n",
       "Todd_Stone_1768d08e-c06c-7224-a58d-32bbd9d685fb              1\n",
       "Name: User Name, dtype: int64"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df[df['Experiment Status'] == 'CANCELED']['User Name'].value_counts().sort_values(ascending=False)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "##  Experiments Created by the hour of the day"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "df['hour_of_day'] = df['Creation Time'].apply(lambda time: datetime.utcfromtimestamp(time/1000).hour)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib.axes._subplots.AxesSubplot at 0x9a0f710>"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": "iVBORw0KGgoAAAANSUhEUgAAAXQAAAEDCAYAAAAlRP8qAAAABHNCSVQICAgIfAhkiAAAAAlwSFlz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\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x971f9b0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "df['hour_of_day'].value_counts().sort_index().plot('bar')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Experiments failed by the hour of the day"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib.axes._subplots.AxesSubplot at 0x971f7b8>"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<matplotlib.figure.Figure at 0x9886160>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "df[df['Experiment Status'] == 'FAILED']['hour_of_day'].value_counts().sort_index().plot('bar')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "## Experiments canceled by the hour of the day"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 2",
   "language": "python",
   "name": "python2"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.10"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 0
}