US3 HPC Database Tables

HPCAnalysisRequest

• HPCAnalysisRequestID
• HPCAnalysisRequestGUID
• investigatorGUID
• submitterGUID
• email
• experimentID
• requestXMLFile
• editXMLFilename
• Submit_time
• clusterName
• Method enum('2DSA','2DSA_MW','GA','GA_MW','GA_SC') default '2DSA'

HPCDataset

• HPCDatasetID
• HPCAnalysisRequestID
• editedDataID
• simpoints
• band_volume
• radial_grid
• time_grid
• rotor_stretch

HPCAnalysisResult

• HPCAnalysisResultID
• HPCAnalysisRequestID

• StartTime /* When receive start from nnls */
• EndTime

• QueueStatus enum('Queued','Running','Aborted','Completed') default 'Queued'
• LastMessage /* From nnls, default null */
• UpdateTime /* time of last message */

• gfacID
• jobfile

• WallTime
• CPUTime
• CPUCount
• mgroupcount
• max_rss
• CalculatedData /* xml file */
• stderr
• stdout

HPCAnalysisResultData

• HPCAnalysisResultDataID
• HPCAnalysisResultID
• HPCAnalysisResultType enum( 'model', 'noise' )
• resultID /* refers to appropriate noiseID, HPCModelID */

Noise

• noiseID
• noiseGUID
• editedDataID refers to the associated edit profile
• Iterations
• modelID the associated model, if any
• modelGUID
• noiseType enum( 'ri_noise','ti_noise' )
• noiseVector /* xml file */

Model

• ModelID
• editedDataID refers to the associated edit profile
• modelGUID
• Iterations
• Meniscus
• RMSD
• description
• contents

2DSA_MW_Settings

• 2DSA_MW_SettingsID
• HPCAnalysisRequestID
• mw_min
• mw_max
• grid_resolution
• oligomer
• ff0_min
• ff0_max
• ff0_resolution
• uniform_grid
• montecarlo_value
• tinoise_option
• regularization
• meniscus_option /* Needed? Use meniscus_value == 0 instead? */
• meniscus_value
• meniscus_points
• iterations_option /* Needed? Use iterations_value == 0 instead? */
• iterations_value
• rinoise_option
• simpoints
• band_volume
• radial_grid
• time_grid

2DSA_Settings

• 2DSA_SettingsID
• HPCAnalysisRequestID
• s_min
• s_max
• s_resolution
• ff0_min
• ff0_max
• ff0_resolution
• uniform_grid
• montecarlo_value
• tinoise_option
• regularization
• meniscus_option /* Needed? Use meniscus_value == 0 instead? */
• meniscus_value
• meniscus_points
• iterations_option /* Needed? Use iterations_value == 0 instead? */
• iterations_value
• rinoise_option
• simpoints
• band_volume
• radial_grid
• time_grid

GA_MW_Settings

• GA_MW_SettingsID
• HPCAnalysisRequestID
• mw_min
• mw_max
• oligomer
• ff0_min
• ff0_max
• montecarlo_value
• tinoise_option
• demes_value
• genes_value
• generations_value
• crossover_value
• mutation_value
• plague_value
• elitism_value
• migration_value
• regularization_value
• seed_value
• rinoise_option
• simpoints
• band_volume
• radial_grid
• time_grid
• meniscus_option /* Needed? Use meniscus_value == 0 instead? */
• meniscus_value

GA_SC_Settings

• GA_SC_SettingsID
• HPCAnalysisRequestID
• montecarlo_value
• demes_value
• genes_value
• generations_value
• crossover_value
• mutation_value
• plague_value
• elitism_value
• migration_value
• regularization_value
• seed_value
• tinoise_option
• rinoise_option
• meniscus_option /* Needed? Use meniscus_value == 0 instead? */
• meniscus_value
• constraint_data

GA_Settings

• GA_SettingsID
• HPCAnalysisRequestID
• montecarlo_value
• demes_value
• genes_value
• generations_value
• crossover_value
• mutation_value`
• plague_value
• elitism_value
• migration_value
• regularization_value
• seed_value
• tinoise_option
• rinoise_option
• simpoints
• band_volume
• radial_grid
• time_grid
• meniscus_option /* Needed? Use meniscus_value == 0 instead? */
• meniscus_value
• solute_value
• solute_data

HPCSoluteData

• HPCSoluteDataID
• GA_SettingsID
• s_min
• s_max
• ff0_min
• ff0_max