public override bool Mathces(Task task)
{
if (task.Package.ToUpperInvariant() == "DALTON")
return true;
return false;
}
public Task(Task otherTask)
: base(otherTask)
{
if (otherTask.OutputParams != null)
OutputParams = new Dictionary<string, string>(otherTask.OutputParams);
if (otherTask.PackageEngineState != null)
this.PackageEngineState = (PackageEngineState) otherTask.PackageEngineState.Clone();
Time = new TaskTimeMeasurement(otherTask.Time);
Incarnation = new IncarnationParams(otherTask.Incarnation);
if (otherTask.Estimations != null)
Estimations = new Dictionary<string, double>(otherTask.Estimations);
CurrentSchedule = null;
if (otherTask.CurrentSchedule != null)
{
CurrentSchedule = new TaskSchedule(otherTask.CurrentSchedule);
// immutable:
this.AssignedResource = otherTask.AssignedResource;
this.AssignedNodes = otherTask.AssignedNodes;
}
State = otherTask.State;
_inputsProcessed = otherTask._inputsProcessed;
_inputsProcessingError = otherTask._inputsProcessingError;
_failReason = otherTask._failReason;
if (otherTask._lastEvent != null && otherTask._lastEvent.HasValue)
_lastEvent = otherTask._lastEvent.Value;
}
public override bool Mathces(Task task)
{
if (task.AssignedTo.ProviderName == CONST.Providers.WinPc)
return true;
return false;
}
public override bool Mathces(Task task)
{
if (task.Package.ToUpperInvariant() == PACK_NANOFLOW)
return true;
return false;
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
var xyzInputFile = task.InputFiles[0]; // the only input
string xyzMoleculeDescription = IOProxy.Storage.GetContent(xyzInputFile.StorageId);
string properMoleculeDescription = GetProperMoleculeDescription(XyzToAtmos(xyzMoleculeDescription));
var paramsDictRaw = new Dictionary<string, string>();
paramsDictRaw.Add(ATOMS_COUNT_PARAM_NAME, _atomsCount.ToString());
int procsCount = task.AssignedTo.Cores.Aggregate((cur, next) => cur + next);
paramsDictRaw.Add(PROCS_COUNT_PARAM_NAME, procsCount.ToString());
foreach (var paramName in task.Params.Keys)
paramsDictRaw.Add(paramName, task.Params[paramName]);
ModifyParams(paramsDictRaw);
var paramsDict = new Dictionary<string, string>();
foreach (string paramName in paramsDictRaw.Keys)
{
string paramValue = paramsDictRaw[paramName];
paramsDict[paramName] = paramValue;
paramsDict[paramName + "=" + paramValue] = paramName + "=" + paramValue;
}
string template = GetInputFileTemplate();
string content = template.Replace(GetTemplateParamDelim() + MOLECULE_PARAM_NAME + GetTemplateParamDelim(), properMoleculeDescription);
content = InsertParams(content, paramsDict);
content = content.Replace("\r\n", "\n");
IOProxy.Ftp.UploadFileContent(content, ftpFolder, GetInputFileNameWithExtension());
}
public override bool Mathces(Task task)
{
string pack = task.Package.ToUpperInvariant();
if (pack == "MD_KMC" || pack == "MD-KMC" || pack == "MDKMC")
return true;
return false;
}
public override void OnStart(Task task, string ftpFolder)
{
var provider = Broker.ProviderByName(CONST.Providers.Metacluster);
string providedTaskId = task.TaskId.ToString();
task.Incarnation.ProvidedTaskId = providedTaskId;
//task.Incarnation.InputFolderPath = provider.GetFtpInputFolder(providedTaskId);
//task.Incarnation.OutputFolderPath = provider.GetFtpOutputFolder(providedTaskId);
}
public override void OnStart(Task task, string ftpFolder)
{
var provider = Broker.ProviderByName(CONST.Providers.WinPc);
string providedTaskId = task.TaskId.ToString();
task.Incarnation.ProvidedTaskId = providedTaskId;
IOProxy.Ftp.MakePath(ftpFolder);
//task.Incarnation.InputFolderPath = WinPcProvider.FTP_FOLDER + providedTaskId + "/in/";
//task.Incarnation.OutputFolderPath = WinPcProvider.FTP_FOLDER + providedTaskId + "/out/";
}
public override void SetIncarnationParams(Task task)
{
string outputFileName = DEFAULT_OUTPUT_NAME + OUTPUT_FILE_EXT;
if (task.OutputFiles != null && task.OutputFiles.Any(f => f.FileName.EndsWith(OUTPUT_FILE_EXT)))
outputFileName = task.OutputFiles.First(file => file.FileName.EndsWith(OUTPUT_FILE_EXT)).FileName;
string cmdLine = "zindo1.sh";
cmdLine += " " + GetInputFileNameWithExtension();
cmdLine += " " + outputFileName; // with extension
cmdLine += " " + Path.GetFileNameWithoutExtension(outputFileName) + TMP_FILE_EXT;
task.Incarnation.CommandLine = cmdLine;
//task.Incarnation.PackageNameInConfig = PACK_SEMP;
}
public override void SetIncarnationParams(Task task)
{
string outputFileName = DEFAULT_OUTPUT_NAME + OUTPUT_FILE_EXT;
if (task.OutputFiles != null && task.OutputFiles.Any(f => f.FileName.EndsWith(OUTPUT_FILE_EXT)))
outputFileName = task.OutputFiles.First(file => file.FileName.EndsWith(OUTPUT_FILE_EXT)).FileName;
string cmdLine = "gms";
cmdLine += " " + GetInputFileNameWithExtension();
cmdLine += " " + outputFileName;
task.Incarnation.CommandLine = cmdLine;
//task.Incarnation.StdOutFile = "";
//task.Incarnation.PackageNameInConfig = PACK_GAMESS;
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
IOProxy.Ftp.MakeFolder(ftpFolder, "IO");
ftpFolder += "IO/";
foreach (string fileName in CONST.Path.Templates.NanoFlowConstFiles)
IOProxy.Ftp.UploadLocalFile(fileName, ftpFolder, Path.GetFileName(fileName));
foreach (var file in task.InputFiles)
{
byte[] bytes = IOProxy.Storage.GetBinaryContent(file.StorageId);
IOProxy.Ftp.UploadFileContent(bytes, ftpFolder, file.FileName);
}
string content = File.ReadAllText(CONST.Path.Templates.NanoFlow);
var applicableParamsNames = task.Params.Keys.Where(key => task.Params[key] != null);
foreach (var paramName in applicableParamsNames)
{
Regex regex = new Regex(
"(?<=" +
// перед искомым должно идти нижеследующее:
paramName +
@"[^=]*" + // сколько угодно символов, которые не "="
@"=" +
@"\s*" + // сколько угодно пробельных символов
"\"" + // кавычка
")"
// собственно, ищем сколько угодно не кавычек:
+ "[^\"]*" +
"(?=" +
// после искомого должно идти нижеследующее:
"\"" + // кавычка
@"\s*" + // сколько угодно пробельных символов
@";" +
")"
);
content = regex.Replace(content, task.Params[paramName]);
}
IOProxy.Ftp.UploadFileContent(content, ftpFolder, Path.GetFileName(CONST.Path.Templates.NanoFlow));
}
public override void SetIncarnationParams(Task task)
{
SetCommandLine(task, "runOMP.sh");
//task.Incarnation.PackageNameInConfig = "PLASMON";
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
foreach (var file in task.InputFiles)
IOProxy.Storage.MoveOutside(file.StorageId, ftpFolder + file.FileName);
}
public override void SetIncarnationParams(Task task)
{
task.Incarnation.CommandLine = String.Format("dalton {0}", Path.GetFileNameWithoutExtension(task.InputFiles[0].FileName));
//task.Incarnation.PackageNameInConfig = "DALTON";
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
base.UploadAndPrepareInputFiles(task, ftpFolder);
IOProxy.Ftp.UploadLocalFile(CONST.Path.Templates.PlasmonInitialSpectr, ftpFolder, Path.GetFileName(CONST.Path.Templates.PlasmonInitialSpectr));
}
public override void SetIncarnationParams(Task task)
{
task.Incarnation.CommandLine = String.Format("runMpi.sh {0}", task.InputFiles[0].FileName);
//task.Incarnation.PackageNameInConfig = "BELMAN";
}
public override void OnFinish(Task task, string ftpFolder)
{
const int MAX_ATTEMPTS = 3;
foreach (string paramName in task.Params.Keys)
{
if (paramName.ToLower() == "osc_freq")
{
bool succeeded = false;
Exception lastException = null;
for (int attemptNum = 0; !succeeded && attemptNum < MAX_ATTEMPTS; attemptNum++)
{
try
{
var singleOutputFile = task.OutputFiles.Last(file => file.FileName.EndsWith(OUTPUT_FILE_EXT));
string fileName = Path.GetFileName(singleOutputFile.FileName);
string folderName = ftpFolder + Path.GetDirectoryName(singleOutputFile.FileName);
if (!folderName.EndsWith("/"))
folderName += "/";
string content = IOProxy.Ftp.DownloadFileContent(folderName, fileName);
double[] values = ExtractValues(content);
double[] intervals = GetIntervals();
int[] freqs = CalcFreqs(intervals, values);
var writer = new StringWriter();
writer.WriteLine("Density of phonon (vibration) states (doubled)");
for (int i = 0; i < freqs.Length; i++)
writer.WriteLine("{0,4}-{1,-4} {2,4} {3}", intervals[i], intervals[i + 1], (intervals[i] + intervals[i + 1]) / 2, freqs[i]);
writer.Close();
IOProxy.Ftp.UploadFileContent(writer.ToString(), folderName, "phonon.hist");
succeeded = true;
}
catch (Exception e)
{
lastException = e;
}
}
if (!succeeded)
throw lastException;
}
}
base.OnFinish(task, ftpFolder);
}
public override void SetIncarnationParams(Task task)
{
int coresCount = task.AssignedTo.Cores.Sum();
task.Incarnation.CommandLine = String.Format("mpirun {0} NanoFlow", coresCount);
//task.Incarnation.PackageNameInConfig = PACK_NANOFLOW;
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
base.UploadAndPrepareInputFiles(task, ftpFolder);
string content = File.ReadAllText(CONST.Path.Templates.NTDMFT);
IOProxy.Ftp.UploadFileContent(content, ftpFolder, Path.GetFileName(CONST.Path.Templates.NTDMFT));
}
public override void SetIncarnationParams(Task task)
{
int coresCount = task.AssignedTo.Cores.Sum();
task.Incarnation.CommandLine = String.Format("mpirun {0} spfemwSEPA.out spfemwSEPA.list", coresCount);
//task.Incarnation.PackageNameInConfig = "NTDMFT";
}
public override void SetIncarnationParams(Task task)
{
task.Incarnation.CommandLine = String.Format("naen");
//task.Incarnation.PackageNameInConfig = "NAEN";
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
base.UploadAndPrepareInputFiles(task, ftpFolder);
IOProxy.Storage.MoveOutside(task.InputFiles[0].StorageId, ftpFolder + "QDLaser.bin");
}
public override void UploadAndPrepareInputFiles(Task task, string ftpFolder)
{
if (String.IsNullOrEmpty(task.Params[CONST.Params.Method]))
task.Params.Remove(CONST.Params.Method);
_commandLineParams = new List<string>();
IOProxy.Ftp.MakeFolder(ftpFolder, "Graphs");
string templateFilePath = GetTemplateFilePath();
string content = File.ReadAllText(templateFilePath);
foreach (string paramName in task.Params.Keys)
{
string paramValue = task.Params[paramName];
if (paramValue.ToLower() == "true")
paramValue = "T";
else
if (paramValue.ToLower() == "false")
paramValue = "F";
Regex regex = new Regex(
"(?<=" +
// до имени параметра не должно быть никаких символов:
@"[^\S]" +
// перед искомым должно идти нижеследующее:
paramName.ToUpper() +
@"\s*" + // сколько угодно пробельных символов
"=" +
@"\s*" + // сколько угодно пробельных символов
")"
// собственно, ищем сколько угодно не запятых и не пробелов:
+ @"[^,\s]*" +
"(?=" +
// после искомого должно идти нижеследующее:
@"\s*" + // сколько угодно пробельных символов
"[,/]" +
")"
);
if (regex.IsMatch(content))
content = regex.Replace(content, paramValue);
else
_commandLineParams.Add(paramName + "=" + paramValue);
}
string fileName = Path.GetFileName(templateFilePath);
IOProxy.Ftp.UploadFileContent(content, ftpFolder, fileName);
}
public override void OnFinish(Task task, string ftpFolder)
{
}
public override void OnFinish(Task task, string ftpFolder)
{
// todo : directly copy files to/from clusters
}
public override void SetIncarnationParams(Task task)
{
int coresCount = task.AssignedTo.Cores.Sum();
task.Incarnation.CommandLine = String.Format("mpirun {0} mdkmc.x", coresCount);
//task.Incarnation.PackageNameInConfig = "MD-KMC";
}
public override void SetIncarnationParams(Task task)
{
SetCommandLine(task, "runMPI.sh");
//task.Incarnation.PackageNameInConfig = "JAGGREGATE";
}
public override void SetIncarnationParams(Task task)
{
task.Incarnation.CommandLine = String.Format(
//"ntestp.sh {3} {0} {1} {2}",
"TESTP {3} {0} {1} {2}",
task.InputFiles[0].FileName,
task.InputFiles[1].FileName,
(!String.IsNullOrEmpty(task.OutputFiles[0].FileName))?
task.OutputFiles[0].FileName:
task.OutputFiles[0].SlotName,
task.Params["operation"]
);
//task.Incarnation.PackageNameInConfig = "TESTP";
}
public override void SetIncarnationParams(Task task)
{
int coresCount = task.AssignedTo.Cores.Sum();
task.Incarnation.CommandLine = String.Format("mpirun -np {0} MC", coresCount);
//task.Incarnation.PackageNameInConfig = "UPCONVERSION";
}
public override void OnManualStart(Task task, string ftpFolder)
{
task.InputFiles[0].FileName = GetInputFileNameWithExtension();
base.OnManualStart(task, ftpFolder);
}
