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CKNLanczosLaunching Class Reference

This class includes functions for matrix debugging. More...

#include "KNLanczosLaunching.h"

Collaboration diagram for CKNLanczosLaunching:
Collaboration graph

Classes

struct  LANCZOS_PARAM
 Structure for Lanczos parameters. More...
 

Public Types

typedef struct
CKNLanczosLaunching::LANCZOS_PARAM * 		LPLANCZOS_PARAM
 

Public Member Functions

 CKNLanczosLaunching ()
 
 ~CKNLanczosLaunching ()
 

Static Public Member Functions

static
CKNLanczosMethod::LPEIGENVALUE_RESULT 		LaunchingLanczos (CKNMatrixOperation::CKNCSR *pA, bool bShowMsg, LPLANCZOS_PARAM lpParam, bool bMPI)
 Lanczos API entry function. More...
 

Detailed Description

This class includes functions for matrix debugging.

Date
10/July/2014
Author
Kyu Nam Cho(mysto.nosp@m.us@k.nosp@m.orea..nosp@m.ac.k.nosp@m.r), Hoon Ryu(elec1.nosp@m.020@.nosp@m.gmail.nosp@m..com)

Definition at line 19 of file KNLanczosLaunching.h.

Member Typedef Documentation

typedef struct CKNLanczosLaunching::LANCZOS_PARAM * CKNLanczosLaunching::LPLANCZOS_PARAM

Constructor & Destructor Documentation

CKNLanczosLaunching::CKNLanczosLaunching ( )

Definition at line 26 of file KNLanczosLaunching.cpp.

27 {
28 }
CKNLanczosLaunching::~CKNLanczosLaunching ( )

Definition at line 30 of file KNLanczosLaunching.cpp.

31 {
32 }

Member Function Documentation

CKNLanczosMethod::LPEIGENVALUE_RESULT CKNLanczosLaunching::LaunchingLanczos ( CKNMatrixOperation::CKNCSR *  pA,
bool  bShowMsg,
LPLANCZOS_PARAM  lpParam,
bool  bMPI 
)
static

Lanczos API entry function.

Parameters
pACSR matrix for eigenvalue solving
bShowMsgFlag for display message
lpParamSeveral parameters for Lanczos method setting
bMPIApplying MPI environment or not

< Remove output directory first

< Launching lanczos method

Definition at line 40 of file KNLanczosLaunching.cpp.

References CKNMatrixOperation::AllocateLocalCSR(), CKNLanczosLaunching::LANCZOS_PARAM::bCalculateEigenVectors, CKNLanczosLaunching::LANCZOS_PARAM::bCalculateWaveFunction, CKNLanczosLaunching::LANCZOS_PARAM::bDoSelectiveReorthogonalization, CKNLanczosLaunching::LANCZOS_PARAM::bSaveResultToFile, CKNMatrixOperation::BuildLocalCSR(), CALCULATION_SUCCESS, CKNLanczosMethod::DoLanczosMethod(), CKNLanczosLaunching::LANCZOS_PARAM::fConvergeceCriteria, CKNLanczosLaunching::LANCZOS_PARAM::fevMax, CKNLanczosLaunching::LANCZOS_PARAM::fevMin, CKNMatrixOperation::FreeLocalCSR(), CKNMPIManager::GetCurrentRank(), CKNMatrixOperation::CKNCSR::GetNoneZeroCount(), CKNMPIManager::GetTotalNodeCount(), CKNMPIManager::InitCommunicationBufferMetric(), CKNMPIManager::InitLevel(), CKNTimeMeasurement::InitTimer(), CKNMPIManager::IsMultiLevelMPI(), CKNMPIManager::IsRootRank(), CKNLanczosLaunching::LANCZOS_PARAM::load_in_MIC, CKNMatrixOperation::CKNCSR::m_vectColumn, CKNMatrixOperation::CKNCSR::m_vectRow, CKNMatrixOperation::CKNCSR::m_vectValueImaginaryBuffer, CKNMatrixOperation::CKNCSR::m_vectValueRealBuffer, CKNLanczosMethod::MergeDegeneratedEigenvalues(), CKNLanczosLaunching::LANCZOS_PARAM::nCheckEigenvalueInterval, CKNLanczosLaunching::LANCZOS_PARAM::nFindingDegeneratedEVCount, CKNLanczosLaunching::LANCZOS_PARAM::nFindingEigenValueCount, CKNLanczosLaunching::LANCZOS_PARAM::nLanczosIterationCount, CKNLanczosLaunching::LANCZOS_PARAM::nMPILevel, phi_tid, CKNLanczosMethod::RecalcuWaveFunction(), CKNLanczosMethod::SaveLanczosResult(), CKNMPIManager::SetMPIEnviroment(), CKNIPCCUtility::SetShow(), SHOW_SIMPLE_MSG, CKNLanczosMethod::ShowLanczosResult(), CKNIPCCUtility::ShowMsg(), CKNTimeMeasurement::TotalMeasurementEnd(), CKNTimeMeasurement::TotalMeasurementStart(), and CKNMatrixOperation::UpdateLocalCSR().

41 {
42  CKNMatrixOperation::CKNCSR *pHamiltonian = pA;
43  CKNMatrixOperation::CKNCSR *plocalH = NULL;
44  CKNMatrixOperation::CKNCSR *plocalHm1 = NULL;
45  CKNMatrixOperation::CKNCSR *plocalHp1 = NULL;
46  unsigned int nRtnCode = CALCULATION_SUCCESS;
47  unsigned int i, nRepeatCount = 1;
48  CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult = NULL;
49  CKNLanczosMethod lanczos;
50  char szMsg[1024];
51  double *pKValue[3] = {NULL, NULL, NULL};
52 
53  if (bShowMsg)
54  CKNIPCCUtility::SetShow(true);
55 
56  int rank;
57  int world_size;
58 
59  if (bMPI)
60  {
61  MPI_Comm_size(MPI_COMM_WORLD, &world_size);
62  MPI_Comm_rank(MPI_COMM_WORLD, &rank);
63 
64  CKNMPIManager::SetMPIEnviroment(rank, world_size);
65  if(!CKNMPIManager::InitLevel(lpParam->nMPILevel, lpParam->nFindingDegeneratedEVCount))
66  {
67  SHOW_SIMPLE_MSG("Adjusting MPI level and node count first!\n");
68  return lpResult;
69  }
70  CKNMPIManager::InitCommunicationBufferMetric();
71  }
72 
73 
74  if( CKNMPIManager::IsRootRank() )
75  {
76 #ifdef _WIN32
77  system("rmdir /s /q result");
78 #else //WIN32
79  system("rm -rf result");
80 #endif //WIN32
81 
82 #pragma omp parallel
83 {
84  if(omp_get_num_threads() > 1)
85  {
86  if(omp_get_thread_num() == 0)
87  {
88  sprintf(szMsg, "-Run with MPI (%d cores) and OpenMP (%d threads)\n", CKNMPIManager::GetTotalNodeCount(), omp_get_num_threads());
89  CKNIPCCUtility::ShowMsg(szMsg);
90  }
91  }
92  else
93  {
94  sprintf(szMsg, "-Run with MPI only (%d cores)\n", CKNMPIManager::GetTotalNodeCount());
95  CKNIPCCUtility::ShowMsg(szMsg);
96  }
97 }
98  }
99 
100  if(CKNMPIManager::GetTotalNodeCount() > 2)
101  CKNMatrixOperation::AllocateLocalCSR(&plocalH, &plocalHm1, &plocalHp1);
102 
103 
104 #ifndef DISABLE_MPI_ROUTINE
105  phi_tid = CKNMPIManager::GetCurrentRank() / 2;
106 // FIXME test code
107 #ifndef _WIN32
108  char host_name[256];
109  gethostname(host_name, 256);
110  //printf("[%s] MPI rank: %d | phi tid: %d\n", host_name, CKNMPIManager::GetCurrentRank(), phi_tid);
111 #endif //_WIN32
112 #else
113  phi_tid = 0;
114 #endif
115 
116  double *local_real = NULL;
117  double *local_imaginary = NULL;
118  unsigned int *local_row = NULL;
119  unsigned int *local_col = NULL;
120  unsigned int local_size = 0;
121  unsigned int local_row_size = 0;
122  unsigned int local_col_size = 0;
123 
124  double *left_real = NULL;
125  double *left_imaginary = NULL;
126  unsigned int *left_row = NULL;
127  unsigned int *left_col = NULL;
128  unsigned int left_size = 0;
129  unsigned int left_row_size = 0;
130  unsigned int left_col_size = 0;
131 
132  double *right_real = NULL;
133  double *right_imaginary = NULL;
134  unsigned int *right_row = NULL;
135  unsigned int *right_col = NULL;
136  unsigned int right_size = 0;
137  unsigned int right_row_size = 0;
138  unsigned int right_col_size = 0;
139  if(CKNMPIManager::GetTotalNodeCount() > 2)
140  {
141  CKNMatrixOperation::BuildLocalCSR(pHamiltonian, plocalH, plocalHm1, plocalHp1);
142  SHOW_SIMPLE_MSG("-Local matrices built\n");
143 
144  local_real = plocalH->m_vectValueRealBuffer.data();
145  local_imaginary = plocalH->m_vectValueImaginaryBuffer.data();
146  local_row = plocalH->m_vectRow.data();
147  local_col = plocalH->m_vectColumn.data();
148  local_size = plocalH->GetNoneZeroCount();
149  local_row_size = plocalH->m_vectRow.size();
150  local_col_size = plocalH->m_vectColumn.size();
151 #pragma offload_transfer target(mic:phi_tid) \
152  nocopy(local_real[0:local_size] : ALLOC) \
153  nocopy(local_imaginary[0:local_size] : ALLOC) \
154  nocopy(local_row[0:local_row_size] : ALLOC) \
155  nocopy(local_col[0:local_col_size] : ALLOC)
156 
157  left_real = plocalHm1->m_vectValueRealBuffer.data();
158  left_imaginary = plocalHm1->m_vectValueImaginaryBuffer.data();
159  left_row = plocalHm1->m_vectRow.data();
160  left_col = plocalHm1->m_vectColumn.data();
161  left_size = plocalHm1->GetNoneZeroCount();
162  left_row_size = plocalHm1->m_vectRow.size();
163  left_col_size = plocalHm1->m_vectColumn.size();
164 #pragma offload_transfer target(mic:phi_tid) \
165  nocopy(left_real[0:left_size] : ALLOC) \
166  nocopy(left_imaginary[0:left_size] : ALLOC) \
167  nocopy(left_row[0:left_row_size] : ALLOC) \
168  nocopy(left_col[0:left_col_size] : ALLOC)
169 
170 // FIXME jinpil: error occurred without the following statement
171 // error message: "offload error: unexpected variable type"
172 // any statements with side effects can also avoid the error, e.g. MPI_Barrier(MPI_COMM_WORLD)
173  SHOW_SIMPLE_MSG("-Xeon Phi: mem alloc\n");
174 // the following statement cannot avoid the error
175 // compiler bug?
176 // int dummy = 0;
177 // -----
178 
179  right_real = plocalHp1->m_vectValueRealBuffer.data();
180  right_imaginary = plocalHp1->m_vectValueImaginaryBuffer.data();
181  right_row = plocalHp1->m_vectRow.data();
182  right_col = plocalHp1->m_vectColumn.data();
183  right_size = plocalHp1->GetNoneZeroCount();
184  right_row_size = plocalHp1->m_vectRow.size();
185  right_col_size = plocalHp1->m_vectColumn.size();
186 #pragma offload_transfer target(mic:phi_tid) \
187  nocopy(right_real[0:right_size] : ALLOC) \
188  nocopy(right_imaginary[0:right_size] : ALLOC) \
189  nocopy(right_row[0:right_row_size] : ALLOC) \
190  nocopy(right_col[0:right_col_size] : ALLOC)
191  }
192  else
193  {
194  local_real = pHamiltonian->m_vectValueRealBuffer.data();
195  local_imaginary = pHamiltonian->m_vectValueImaginaryBuffer.data();
196  local_row = pHamiltonian->m_vectRow.data();
197  local_col = pHamiltonian->m_vectColumn.data();
198  local_size = pHamiltonian->GetNoneZeroCount();
199  local_row_size = pHamiltonian->m_vectRow.size();
200  local_col_size = pHamiltonian->m_vectColumn.size();
201 #pragma offload_transfer target(mic:phi_tid) \
202  nocopy(local_real[0:local_size] : ALLOC) \
203  nocopy(local_imaginary[0:local_size] : ALLOC) \
204  nocopy(local_row[0:local_row_size] : ALLOC) \
205  nocopy(local_col[0:local_col_size] : ALLOC)
206  }
207 
208  if(CKNMPIManager::GetTotalNodeCount() > 2)
209  {
210  CKNMatrixOperation::UpdateLocalCSR(pHamiltonian, plocalH, plocalHm1, plocalHp1);
211  SHOW_SIMPLE_MSG("-Local matrices updated\n");
212 
213 #pragma offload_transfer target(mic:phi_tid) \
214  in(local_real[0:local_size] : REUSE) \
215  in(local_imaginary[0:local_size] : REUSE) \
216  in(local_row[0:local_row_size] : REUSE) \
217  in(local_col[0:local_col_size] : REUSE)
218 
219 #pragma offload_transfer target(mic:phi_tid) \
220  in(left_real[0:left_size] : REUSE) \
221  in(left_imaginary[0:left_size] : REUSE) \
222  in(left_row[0:left_row_size] : REUSE) \
223  in(left_col[0:left_col_size] : REUSE)
224 
225 #pragma offload_transfer target(mic:phi_tid) \
226  in(right_real[0:right_size] : REUSE) \
227  in(right_imaginary[0:right_size] : REUSE) \
228  in(right_row[0:right_row_size] : REUSE) \
229  in(right_col[0:right_col_size] : REUSE)
230  }
231  else
232  {
233 #pragma offload_transfer target(mic:phi_tid) \
234  in(local_real[0:local_size] : REUSE) \
235  in(local_imaginary[0:local_size] : REUSE) \
236  in(local_row[0:local_row_size] : REUSE) \
237  in(local_col[0:local_col_size] : REUSE)
238  }
239 
240  CKNTimeMeasurement::InitTimer();
241  CKNTimeMeasurement::TotalMeasurementStart();
243  lpResult = lanczos.DoLanczosMethod(pHamiltonian,
244  lpParam->nLanczosIterationCount,
245  lpParam->nCheckEigenvalueInterval,
246  lpParam->nFindingEigenValueCount,
247  lpParam->fevMin,
248  lpParam->fevMax,
249  lpParam->fConvergeceCriteria,
250  lpParam->bDoSelectiveReorthogonalization,
251  lpParam->bCalculateEigenVectors,
252  lpParam->bCalculateWaveFunction,
253  lpParam->load_in_MIC,
254  plocalH, // ADDED
255  plocalHm1, // ADDED
256  plocalHp1);// ADDED
257 
258  if( CKNMPIManager::IsMultiLevelMPI() )
259  {
260  CKNLanczosMethod::MergeDegeneratedEigenvalues(lpResult, lpParam->nFindingDegeneratedEVCount, pHamiltonian, plocalH, plocalHm1, plocalHp1);
261  if( lpParam->bCalculateWaveFunction )
262  CKNLanczosMethod::RecalcuWaveFunction(lpResult);
263  }
264 
265  if( lpParam->bSaveResultToFile )
266  {
267  if(CKNMPIManager::IsRootRank())
268  CKNIPCCUtility::ShowMsg("\n-Save result into file\n");
269 
270  CKNLanczosMethod::SaveLanczosResult(lpResult, lpParam->bCalculateEigenVectors, lpParam->bCalculateWaveFunction, NULL, 0);
271  }
272 
273  CKNTimeMeasurement::TotalMeasurementEnd();
274 
275  CKNLanczosMethod::ShowLanczosResult(lpResult, lpParam->bCalculateEigenVectors, lpParam->bCalculateWaveFunction, NULL, 0);
276 
277  if(CKNMPIManager::IsRootRank())
278  SHOW_SIMPLE_MSG("\n-Finished Lanczos eigenvalue solver.\n\n");
279 
280  if(CKNMPIManager::GetTotalNodeCount() > 2)
281  {
282  CKNMatrixOperation::FreeLocalCSR(plocalH, plocalHm1, plocalHp1);
283 
284 #pragma offload_transfer target(mic:phi_tid) \
285  nocopy(local_real : FREE) \
286  nocopy(local_imaginary : FREE) \
287  nocopy(local_row : FREE) \
288  nocopy(local_col : FREE)
289 
290 #pragma offload_transfer target(mic:phi_tid) \
291  nocopy(left_real : FREE) \
292  nocopy(left_imaginary : FREE) \
293  nocopy(left_row : FREE) \
294  nocopy(left_col : FREE)
295 
296 #pragma offload_transfer target(mic:phi_tid) \
297  nocopy(right_real : FREE) \
298  nocopy(right_imaginary : FREE) \
299  nocopy(right_row : FREE) \
300  nocopy(right_col : FREE)
301  }
302  else
303  {
304 #pragma offload_transfer target(mic:phi_tid) \
305  nocopy(local_real : FREE) \
306  nocopy(local_imaginary : FREE) \
307  nocopy(local_row : FREE) \
308  nocopy(local_col : FREE)
309  }
310 
311  return lpResult;
312 }
CKNMPIManager::InitCommunicationBufferMetric
static void InitCommunicationBufferMetric()
Initializing MPI Communication buffer for MVMul.
Definition: KNMPIManager.cpp:718
CKNIPCCUtility::ShowMsg
static void ShowMsg(char *pszBuffer)
Show message.
Definition: KNIPCCUtility.cpp:35
CKNMPIManager::SetMPIEnviroment
static void SetMPIEnviroment(int nRank, int nTotalNode)
Set MPI Enviroment.
Definition: KNMPIManager.cpp:139
CKNLanczosMethod::MergeDegeneratedEigenvalues
static void MergeDegeneratedEigenvalues(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, unsigned int nFindingDegeneratedEVCount, CKNMatrixOperation::CKNCSR *pA, CKNMatrixOperation::CKNCSR *pLocalBlock, CKNMatrixOperation::CKNCSR *pLeftBlock, CKNMatrixOperation::CKNCSR *pRightBlock)
Merging eigenvalue into mater group.
Definition: KNLanczosMethod.cpp:2010
CKNMPIManager::InitLevel
static bool InitLevel(int nMPILevel, int nFindingDegeneratedEVCount)
Init MPI Level, most low level is for multi node cacluation for Lanczos.
Definition: KNMPIManager.cpp:51
CKNMatrixOperation::CKNCSR::GetNoneZeroCount
unsigned int GetNoneZeroCount()
Getting numbers of none zero elements.
Definition: KNMatrixOperation.h:171
CKNMatrixOperation::CKNCSR::m_vectValueRealBuffer
double_vector_t m_vectValueRealBuffer
A member variable for saving none zero elements.
Definition: KNMatrixOperation.h:218
CKNMatrixOperation::CKNCSR
Data and operation representation of CSR(Compressed Sparse Row)
Definition: KNMatrixOperation.h:164
CKNLanczosMethod
This class for doing Lanczos method.
Definition: KNLanczosMethod.h:20
CKNMatrixOperation::CKNCSR::m_vectValueImaginaryBuffer
double_vector_t m_vectValueImaginaryBuffer
A member variable for saving none zero elements.
Definition: KNMatrixOperation.h:219
CKNMPIManager::GetTotalNodeCount
static int GetTotalNodeCount()
Definition: KNMPIManager.h:44
CALCULATION_SUCCESS
#define CALCULATION_SUCCESS
Return code at main loop, every steps completed.
Definition: CKNGlobal.h:70
SHOW_SIMPLE_MSG
#define SHOW_SIMPLE_MSG(message)
Definition: CKNGlobal.h:41
CKNMatrixOperation::CKNCSR::m_vectColumn
uint_vector_t m_vectColumn
A member variable for saving column information.
Definition: KNMatrixOperation.h:223
CKNLanczosMethod::RecalcuWaveFunction
static void RecalcuWaveFunction(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult)
Recalculating wavefunction after merging degenerated eigenvalues.
Definition: KNLanczosMethod.cpp:1873
CKNLanczosMethod::SaveLanczosResult
static void SaveLanczosResult(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, bool bCalcuEigenvalue, bool bWaveFunction, double *pKValue, int nRepeatCount)
Saving Lanczos computation result into file.
Definition: KNLanczosMethod.cpp:1654
CKNIPCCUtility::SetShow
static void SetShow(bool bShow)
Definition: KNIPCCUtility.h:30
CKNLanczosMethod::EIGENVALUE_RESULT
Structure for engienvalue computing.
Definition: KNLanczosMethod.h:30
CKNMatrixOperation::UpdateLocalCSR
static void UpdateLocalCSR(CKNMatrixOperation::CKNCSR *source, CKNMatrixOperation::CKNCSR *mine, CKNMatrixOperation::CKNCSR *left, CKNMatrixOperation::CKNCSR *right)
Definition: KNMatrixOperation.cpp:3050
CKNLanczosMethod::DoLanczosMethod
LPEIGENVALUE_RESULT DoLanczosMethod(CKNMatrixOperation::CKNCSR *pAMatrix, unsigned int nIterationCount, unsigned int nEigenValueCheckInterval, unsigned int nEigenValueCount, double fEigenvalueMin, double fEignevalueMax, double fConvergenceTolerance, bool bReorthogonalization, bool bCalcuEigVector, bool bWaveFunction, double load_in_MIC, CKNMatrixOperation::CKNCSR *pmylocalblock=NULL, CKNMatrixOperation::CKNCSR *leftlocalblock=NULL, CKNMatrixOperation::CKNCSR *rightlocalblock=NULL)
Doing lanczos method.
Definition: KNLanczosMethod.cpp:130
CKNMPIManager::GetCurrentRank
static int GetCurrentRank()
Definition: KNMPIManager.h:42
CKNTimeMeasurement::TotalMeasurementEnd
static void TotalMeasurementEnd()
Measurement end for total taken time.
Definition: KNTimeMeasurement.cpp:46
CKNMatrixOperation::BuildLocalCSR
static void BuildLocalCSR(CKNMatrixOperation::CKNCSR *source, CKNMatrixOperation::CKNCSR *mine, CKNMatrixOperation::CKNCSR *left, CKNMatrixOperation::CKNCSR *right)
Definition: KNMatrixOperation.cpp:2933
CKNTimeMeasurement::TotalMeasurementStart
static void TotalMeasurementStart()
Measurement start for total taken time.
Definition: KNTimeMeasurement.cpp:35
CKNMatrixOperation::AllocateLocalCSR
static void AllocateLocalCSR(CKNMatrixOperation::CKNCSR **mine, CKNMatrixOperation::CKNCSR **left, CKNMatrixOperation::CKNCSR **right)
Definition: KNMatrixOperation.cpp:2874
CKNMPIManager::IsRootRank
static bool IsRootRank()
Get Total node count.
Definition: KNMPIManager.cpp:217
CKNMatrixOperation::CKNCSR::m_vectRow
uint_vector_t m_vectRow
A member variable for saving row information.
Definition: KNMatrixOperation.h:222
phi_tid
int phi_tid
Definition: KNTBMS_Solver.cpp:31
CKNMPIManager::IsMultiLevelMPI
static bool IsMultiLevelMPI()
Get MPI_Comm.
Definition: KNMPIManager.h:68
CKNTimeMeasurement::InitTimer
static void InitTimer()
Init time related variable.
Definition: KNTimeMeasurement.cpp:24
CKNLanczosMethod::ShowLanczosResult
static void ShowLanczosResult(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, bool bCalculateEigenVectors, bool bCalculateWaveFunction, double *pKValue, int nRepeatCount)
Save calculating result into file.
Definition: KNLanczosMethod.cpp:1822
CKNMatrixOperation::FreeLocalCSR
static void FreeLocalCSR(CKNMatrixOperation::CKNCSR *mine, CKNMatrixOperation::CKNCSR *left, CKNMatrixOperation::CKNCSR *right)
Definition: KNMatrixOperation.cpp:3166

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The documentation for this class was generated from the following files: