use of org.apache.airavata.model.application.io.InputDataObjectType in project airavata by apache.
the class RegisterSampleApplications method registerGromacsInterface.
public void registerGromacsInterface() {
try {
System.out.println("#### Registering Gromacs Interface #### \n");
List<String> appModules = new ArrayList<String>();
appModules.add(gromacsModuleId);
InputDataObjectType input1 = RegisterSampleApplicationsUtils.createAppInput("Portable_Input_Binary_File", null, DataType.URI, null, 1, true, true, false, "Coordinates velocities, molecular topology and simulation parameters - pdb1y6l-EM-vacuum.tpr", null);
InputDataObjectType input2 = RegisterSampleApplicationsUtils.createAppInput("GROMOS_Coordinate_File", null, DataType.URI, null, 2, true, true, false, "Trajectory Coordinates Molecular Structure in Gromos87 format - pdb1y6l-EM-vacuum.gro", null);
List<InputDataObjectType> applicationInputs = new ArrayList<InputDataObjectType>();
applicationInputs.add(input1);
applicationInputs.add(input2);
OutputDataObjectType output1 = RegisterSampleApplicationsUtils.createAppOutput("GROMACS_Execution_Log", null, DataType.URI, true, true, null);
OutputDataObjectType output2 = RegisterSampleApplicationsUtils.createAppOutput("Full_Precision_Trajectory_file", null, DataType.URI, true, true, null);
OutputDataObjectType output3 = RegisterSampleApplicationsUtils.createAppOutput("Portable_Energy_file", null, DataType.URI, true, true, null);
OutputDataObjectType output4 = RegisterSampleApplicationsUtils.createAppOutput("STDOUT", null, DataType.STDOUT, true, true, null);
OutputDataObjectType output5 = RegisterSampleApplicationsUtils.createAppOutput("STDERR", null, DataType.STDERR, true, true, null);
List<OutputDataObjectType> applicationOutputs = new ArrayList<OutputDataObjectType>();
applicationOutputs.add(output1);
applicationOutputs.add(output2);
applicationOutputs.add(output3);
applicationOutputs.add(output4);
applicationOutputs.add(output5);
gromacsInterfaceId = airavataClient.registerApplicationInterface(new AuthzToken(""), DEFAULT_GATEWAY, RegisterSampleApplicationsUtils.createApplicationInterfaceDescription(gromacsName, gromacsDescription, appModules, applicationInputs, applicationOutputs));
System.out.println("Gromacs Application Interface Id " + gromacsInterfaceId);
} catch (TException e) {
e.printStackTrace();
}
}
use of org.apache.airavata.model.application.io.InputDataObjectType in project airavata by apache.
the class RegisterSampleApplications method registerTrinityInterface.
public void registerTrinityInterface() {
try {
System.out.println("#### Registering Trinity Interface #### \n");
List<String> appModules = new ArrayList<String>();
appModules.add(trinityModuleId);
InputDataObjectType input1 = RegisterSampleApplicationsUtils.createAppInput("RNA_Seq_Left_Input", null, DataType.URI, null, 1, true, true, false, "RNA-Seq Left Library - reads.left.fq", null);
InputDataObjectType input2 = RegisterSampleApplicationsUtils.createAppInput("RNA_Seq_Right_Input", null, DataType.URI, null, 2, true, true, false, "RNA-Seq Right Library - reads.right.fq", null);
List<InputDataObjectType> applicationInputs = new ArrayList<InputDataObjectType>();
applicationInputs.add(input1);
applicationInputs.add(input2);
OutputDataObjectType output1 = RegisterSampleApplicationsUtils.createAppOutput("Trinity_Execution_Log", null, DataType.URI, true, true, null);
OutputDataObjectType output2 = RegisterSampleApplicationsUtils.createAppOutput("Trinity_FASTA_File", null, DataType.URI, true, true, null);
OutputDataObjectType output3 = RegisterSampleApplicationsUtils.createAppOutput("STDOUT", null, DataType.STDOUT, true, true, null);
OutputDataObjectType output4 = RegisterSampleApplicationsUtils.createAppOutput("STDERR", null, DataType.STDERR, true, true, null);
List<OutputDataObjectType> applicationOutputs = new ArrayList<OutputDataObjectType>();
applicationOutputs.add(output1);
applicationOutputs.add(output2);
applicationOutputs.add(output3);
applicationOutputs.add(output4);
trinityInterfaceId = airavataClient.registerApplicationInterface(new AuthzToken(""), DEFAULT_GATEWAY, RegisterSampleApplicationsUtils.createApplicationInterfaceDescription(trinityName, trinityDescription, appModules, applicationInputs, applicationOutputs));
System.out.println("Trinity Application Interface Id " + trinityInterfaceId);
} catch (TException e) {
e.printStackTrace();
}
}
use of org.apache.airavata.model.application.io.InputDataObjectType in project airavata by apache.
the class RegisterSampleApplications method registerGaussianInterface.
private void registerGaussianInterface() {
try {
System.out.println("#### Registering Gaussian Application Interface ####");
List<String> appModules = new ArrayList<String>();
appModules.add(gaussianModuleId);
InputDataObjectType input1 = RegisterSampleApplicationsUtils.createAppInput("MainInputFile", null, DataType.URI, null, 1, true, true, false, "Gaussian main input file", null);
List<InputDataObjectType> applicationInputs = new ArrayList<InputDataObjectType>();
applicationInputs.add(input1);
OutputDataObjectType output1 = RegisterSampleApplicationsUtils.createAppOutput("gaussian.out", "", DataType.URI, true, true, null);
OutputDataObjectType output2 = RegisterSampleApplicationsUtils.createAppOutput("STDOUT", null, DataType.STDOUT, true, true, null);
OutputDataObjectType output3 = RegisterSampleApplicationsUtils.createAppOutput("STDERR", null, DataType.STDERR, true, true, null);
List<OutputDataObjectType> applicationOutputs = new ArrayList<OutputDataObjectType>();
applicationOutputs.add(output1);
applicationOutputs.add(output2);
applicationOutputs.add(output3);
String addApplicationInterfaceId = airavataClient.registerApplicationInterface(new AuthzToken(""), DEFAULT_GATEWAY, RegisterSampleApplicationsUtils.createApplicationInterfaceDescription("Gaussian", "Gaussian application", appModules, applicationInputs, applicationOutputs));
System.out.println("Gaussian Application Interface Id " + addApplicationInterfaceId);
} catch (TException e) {
e.printStackTrace();
}
}
use of org.apache.airavata.model.application.io.InputDataObjectType in project airavata by apache.
the class RegisterSampleApplications method registerAutoDockInterface.
public void registerAutoDockInterface() {
try {
System.out.println("#### Registering AutoDock Interface #### \n");
List<String> appModules = new ArrayList<String>();
appModules.add(autoDockModuleId);
InputDataObjectType input1 = RegisterSampleApplicationsUtils.createAppInput("Heat_Restart_File", null, DataType.URI, null, 1, true, true, false, "Heating up the system equilibration stage", null);
InputDataObjectType input2 = RegisterSampleApplicationsUtils.createAppInput("Production_Control_File", null, DataType.URI, null, 2, true, true, false, "Constant pressure and temperature for production stage", null);
InputDataObjectType input3 = RegisterSampleApplicationsUtils.createAppInput("Parameter_Topology_File", null, DataType.URI, null, 3, true, true, false, "Parameter and Topology coordinates", null);
List<InputDataObjectType> applicationInputs = new ArrayList<InputDataObjectType>();
applicationInputs.add(input1);
applicationInputs.add(input2);
applicationInputs.add(input3);
OutputDataObjectType output1 = RegisterSampleApplicationsUtils.createAppOutput("STDOUT", null, DataType.STDOUT, true, true, null);
OutputDataObjectType output2 = RegisterSampleApplicationsUtils.createAppOutput("STDERR", null, DataType.STDERR, true, true, null);
List<OutputDataObjectType> applicationOutputs = new ArrayList<OutputDataObjectType>();
applicationOutputs.add(output1);
applicationOutputs.add(output2);
autoDockInterfaceId = airavataClient.registerApplicationInterface(new AuthzToken(""), DEFAULT_GATEWAY, RegisterSampleApplicationsUtils.createApplicationInterfaceDescription(autoDockName, autoDockDescription, appModules, applicationInputs, applicationOutputs));
System.out.println("AutoDock Application Interface Id " + autoDockInterfaceId);
} catch (TException e) {
e.printStackTrace();
}
}
use of org.apache.airavata.model.application.io.InputDataObjectType in project airavata by apache.
the class CreateLaunchBES method createMPIExperimentForFSD.
public static String createMPIExperimentForFSD(Airavata.Client client) throws TException {
try {
List<InputDataObjectType> exInputs = client.getApplicationInputs(new AuthzToken(""), mpiAppId);
for (InputDataObjectType inputDataObjectType : exInputs) {
// }
if (inputDataObjectType.getName().equalsIgnoreCase("NumberOfProcesses")) {
inputDataObjectType.setValue("32");
}
if (inputDataObjectType.getName().equalsIgnoreCase("US3INPUT")) {
inputDataObjectType.setValue("file://home/m.memon/us3input/smallerdata/hpcinput-uslims3.uthscsa.edu-uslims3_cauma3-01594.tar");
}
if (inputDataObjectType.getName().equalsIgnoreCase("US3INPUTARG")) {
inputDataObjectType.setValue("hpcinput-uslims3.uthscsa.edu-uslims3_cauma3-01594.tar");
}
}
List<OutputDataObjectType> exOut = client.getApplicationOutputs(new AuthzToken(""), mpiAppId);
for (OutputDataObjectType outputDataObjectType : exOut) {
if (outputDataObjectType.getName().equals("US3OUT")) {
outputDataObjectType.setValue("output/analysis-results.tar");
}
}
ExperimentModel simpleExperiment = ExperimentModelUtil.createSimpleExperiment(DEFAULT_GATEWAY, "default", "admin", "mpiExperiment", "HelloMPI", mpiAppId, exInputs);
simpleExperiment.setExperimentOutputs(exOut);
Map<String, String> computeResources = airavataClient.getAvailableAppInterfaceComputeResources(new AuthzToken(""), mpiAppId);
if (computeResources != null && computeResources.size() != 0) {
for (String id : computeResources.keySet()) {
String resourceName = computeResources.get(id);
if (resourceName.equals(unicoreHostName)) {
ComputationalResourceSchedulingModel scheduling = ExperimentModelUtil.createComputationResourceScheduling(id, 0, 4, 0, null, 10, 0);
UserConfigurationDataModel userConfigurationData = new UserConfigurationDataModel();
userConfigurationData.setAiravataAutoSchedule(false);
userConfigurationData.setOverrideManualScheduledParams(false);
userConfigurationData.setComputationalResourceScheduling(scheduling);
userConfigurationData.setGenerateCert(true);
userConfigurationData.setUserDN("CN=m.memon, O=Ultrascan Gateway, C=DE");
simpleExperiment.setUserConfigurationData(userConfigurationData);
return client.createExperiment(new AuthzToken(""), DEFAULT_GATEWAY, simpleExperiment);
}
}
}
} catch (AiravataSystemException e) {
logger.error("Error occured while creating the experiment...", e.getMessage());
throw new AiravataSystemException(e);
} catch (InvalidRequestException e) {
logger.error("Error occured while creating the experiment...", e.getMessage());
throw new InvalidRequestException(e);
} catch (AiravataClientException e) {
logger.error("Error occured while creating the experiment...", e.getMessage());
throw new AiravataClientException(e);
} catch (TException e) {
logger.error("Error occured while creating the experiment...", e.getMessage());
throw new TException(e);
}
return null;
}
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