KNIPCCUtility.cpp

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#include "stdafx.h"
#include "KNIPCCUtility.h"
#include <algorithm>
#include "KNMPIManager.h"

#ifdef _WIN32
#include <direct.h>
#else
#include <sys/stat.h>
#include <sys/types.h>
#endif

#define DUMY_STRING_FOR_COMPLEX_SHOWING "\t\t\t"

using namespace std;
bool CKNIPCCUtility::m_bShowMsg = false;

CKNIPCCUtility::CKNIPCCUtility()
{
}

CKNIPCCUtility::~CKNIPCCUtility()
{
}

void CKNIPCCUtility::ShowMsg(char *pszBuffer)
{
    if (false == m_bShowMsg)
        return;
#ifdef _WIN32
#if _MFC_VER == 0x0C00
    OutputDebugStringA(pszBuffer);
#else// _MFC_VER == 0x0C00
    printf("%s", pszBuffer);
#endif //_MFC_VER == 0x0C00
#else
    printf("%s", pszBuffer);
#endif
}

void CKNIPCCUtility::ShowDoubleMatrix(double *pMatrix, int m, int n, int startm, int endm, int startn, int endn, char *pszDebugMsg)
{
    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg("\n");

    for (int i = startm; i < endm; i++)
    {
        char szRow[1024] = "";
        for (int j = startn; j < endn; j++)
        {
            char        szCol[1024];

            sprintf(szCol, "%20.20f ", pMatrix[i*m + j]);
            strcat(szRow, szCol);
        }
        strcat(szRow, "\n");
        ShowMsg(szRow);
    }
}
void CKNIPCCUtility::ShowDenseMatrix(CKNMatrixOperation::CKNDMatrix *pMatrix, int startm, int endm, int startn, int endn, char *pszDebugMsg, bool bLineFeed, bool bShowImaginary)
{
    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg("\n");

    for (int i = startm; i <= endm; i++)
    {
        char szRow[1024] = "";
        for (int j = startn; j <= endn; j++)
        {
            char            szCol[1024];
            CKNComplex      temppNumber = pMatrix->GetElement(i, j);

            sprintf(szCol, "%10.10f ", temppNumber.GetRealNumber());
            strcat(szRow, szCol);
            if (bShowImaginary)
            {
                sprintf(szCol, "+ %10.10f i ", temppNumber.GetImaginaryNumber());
                strcat(szRow, szCol);
            }
            strcat(szRow, "\t");
        }
        if (bLineFeed)
            strcat(szRow, "\n");
        strcat(szRow, "\n");
        ShowMsg(szRow);
    }
}

void CKNIPCCUtility::ShowCSR(CKNMatrixOperation::CKNCSR *pCSR, int startm, int endm, int startn, int endn, char *pszDebugMsg)
{
    bool                        bExisted;
    
    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg("\n");

    for (unsigned int i = startm; i <= (unsigned int)endm; i++)
    {
        char szRow[1024] = "";
        for (unsigned int j = startn; j <= (unsigned int)endn; j++)
        {
            char        szCol[1024];
            CKNComplex  element = pCSR->GetElement(i, j, bExisted);

            if (bExisted)
                sprintf(szCol, "%3.3f:%3.3f |\t\t", element.GetRealNumber(), element.GetImaginaryNumber());
            else
                sprintf(szCol, "%s |\t\t", DUMY_STRING_FOR_COMPLEX_SHOWING);
            strcat(szRow, szCol);
        }
        strcat(szRow, "\n");
        ShowMsg(szRow);
    }
}

void CKNIPCCUtility::ShowCSR(CKNMatrixOperation::CKNCSR *pCSR, char *pszDebugMsg)
{
    bool                        bExisted;
    unsigned int                iMax, jMax;

#ifdef _WIN32
    iMax = min(10, pCSR->GetRowCount());
    jMax = min(10, pCSR->GetColumnCount());
#else
    iMax = std::min(10, (int)pCSR->GetRowCount());
    jMax = std::min(10, (int)pCSR->GetColumnCount());
#endif

    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg("\n");

    for (unsigned int i = 0; i < iMax; i++)
    {
        char szRow[1024] = "";
        for (unsigned int j = 0; j < jMax; j++)
        {
            char        szCol[1024];
            CKNComplex  element = pCSR->GetElement(i, j, bExisted);

            if (bExisted)
                sprintf(szCol, "%3.3f:%3.3f |\t\t", element.GetRealNumber(), element.GetImaginaryNumber());
            else
                sprintf(szCol, "%s |\t\t", DUMY_STRING_FOR_COMPLEX_SHOWING);
            strcat(szRow, szCol);
        }
        strcat(szRow, "\n");
        ShowMsg(szRow);
    }
}

void CKNIPCCUtility::ShowDoubleArray(double *vector, char *pszDebugMsg, int due)
{
    char        szDebug[1024] = "";
    int         i;

    ShowMsg(pszDebugMsg);
    ShowMsg("\n");

    for (i = 0; i < due; i++)
    {
        sprintf(szDebug, "%5d: %20.20f\n", i, vector[i]);
        ShowMsg(szDebug);
    }
}

void CKNIPCCUtility::ShowDoubleVector(CKNMatrixOperation::CKNVector vector, char *pszDebugMsg, int due)
{
    char        szDebug[1024] = "";
    int         i, nSize;

    if (-1 == due)
        nSize = vector.GetSize();
    else
        nSize = due;

    ShowMsg(pszDebugMsg);
    ShowMsg("\n");

    for (i = 0; i < nSize; i++)
    {
        sprintf(szDebug, "%5d: %20.20f   + %20.20f i\n", i, vector.GetAt(i).GetRealNumber(), vector.GetAt(i).GetImaginaryNumber());
        ShowMsg(szDebug);
    }
}

void CKNIPCCUtility::ShowComplex(CKNComplex number, char *pszDebugMsg)
{
    char            szDebug[1024];

    sprintf(szDebug, "       %20.20f   + %20.20f i\n", number.GetRealNumber(), number.GetImaginaryNumber());

    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg(szDebug);
}

void CKNIPCCUtility::ShowDouble(double number, char *pszDebugMsg)
{
    char            szDebug[1024];

    sprintf(szDebug, "       %20.20f \n", number);

    ShowMsg(pszDebugMsg);
    ShowMsg("\n");
    ShowMsg(szDebug);
}

void CKNIPCCUtility::SaveResult(CKNLanczosMethod::LPEIGENVALUE_RESULT lpResult, int nIndex)
{
    char            szBuffer[1024];
    FILE            *fpResult;
    unsigned int    i;

    sprintf(szBuffer, "lanczosresult_%d.txt", nIndex);
    if (NULL != (fpResult = fopen(szBuffer, "wt")))
    {
        for (i = 0; i < lpResult->nEigenValueCount; i++)
        {
            sprintf(szBuffer, "%f\n", lpResult->pEigenValues[i]);
            fputs(szBuffer, fpResult);
        }
        fclose(fpResult);
    }
}

void CKNIPCCUtility::DumpCSRBinary(CKNMatrixOperation::CKNCSR *pCSR, char *pszFileName, double fAtomIDStartIndex)
{
    unsigned int        i, j, nSize;
    FILE                *out;

#ifdef DISABLE_MPI_ROUTINE
    out = fopen(pszFileName, "wb");
#else //DISABLE_MPI_ROUTINE
    MPI_Request         req;
    double              fTemp = 1;

    if (CKNMPIManager::IsRootRank())
        out = fopen(pszFileName, "wb");
    else
    {
        CKNMPIManager::ReceiveDoubleBufferSync(CKNMPIManager::GetCurrentRank() - 1, &fTemp, 1, &req);
        out = fopen(pszFileName, "ab");
    }
#endif //DISABLE_MPI_ROUTINE

    if (NULL == out)
        return;

    nSize = pCSR->GetRowCount();
    for (i = 0; i < nSize; ++i)
    {
        unsigned int    nSubStart = pCSR->m_vectRow[i], nSubEnd = pCSR->m_vectRow[i + 1];

        for (j = nSubStart; j < nSubEnd; ++j)
        {
            double  fTemp;
            int     nTemp = i + (int)(fAtomIDStartIndex * 10);
            fwrite(&nTemp, sizeof(int), 1, out);
            fwrite(&pCSR->m_vectColumn[j], sizeof(int), 1, out);
            fTemp = pCSR->m_vectValueRealBuffer[j];
            fwrite(&fTemp, sizeof(double), 1, out);
            fTemp = pCSR->m_vectValueImaginaryBuffer[j];
            fwrite(&fTemp, sizeof(double), 1, out);
        }
    }
    fclose(out);

#ifndef DISABLE_MPI_ROUTINE
    if (CKNMPIManager::GetCurrentRank() < CKNMPIManager::GetTotalNodeCount() - 1)
        CKNMPIManager::SendDoubleBufferSync(CKNMPIManager::GetCurrentRank() + 1, &fTemp, 1, &req);
#endif //DISABLE_MPI_ROUTINE
}

void CKNIPCCUtility::DumpCSR(CKNMatrixOperation::CKNCSR *pCSR, char *pszFileName, double fAtomIDStartIndex)
{
    unsigned int        i, j, nSize;
    FILE                *out;
    char                szMsg[1024];
    char                szFileName[1024];

    if( false == CKNMPIManager::IsDeflationRoot() )
        return;

#ifdef _WIN32
    _mkdir("result");
    sprintf(szFileName, "result\\%s", pszFileName);
#else
    mkdir("result", 0777);
    sprintf(szFileName, "result/%s", pszFileName);
#endif

#ifdef DISABLE_MPI_ROUTINE
    out = fopen(szFileName, "wt");
#else //DISABLE_MPI_ROUTINE
    MPI_Request         req;
    double              fTemp = 1;

    if( CKNMPIManager::IsRootRank())
        out = fopen(szFileName, "wt");
    else
    {
        CKNMPIManager::ReceiveDoubleBufferSync(CKNMPIManager::GetCurrentRank()-1, &fTemp, 1, &req);
        out = fopen(szFileName, "at");
    }
#endif //DISABLE_MPI_ROUTINE

    if( NULL == out )
        return;

    nSize = pCSR->GetRowCount();
    for(i = 0; i < nSize ; ++ i)
    {
        unsigned int    nSubStart = pCSR->m_vectRow[i], nSubEnd = pCSR->m_vectRow[i + 1];

        for (j = nSubStart; j < nSubEnd; ++ j)
        {
            sprintf(szMsg, "%05d\t%05d\t%40.30f\t%40.30f\n", i + (int)(fAtomIDStartIndex*10) + 1, 
                                                            pCSR->m_vectColumn[j] + 1, 
                                                            pCSR->m_vectValueRealBuffer[j], 
                                                            pCSR->m_vectValueImaginaryBuffer[j]);
            fputs(szMsg, out);
        }
    }
    fclose(out);

#ifndef DISABLE_MPI_ROUTINE
    if( CKNMPIManager::GetCurrentRank() < CKNMPIManager::GetTotalNodeCount() - 1)
        CKNMPIManager::SendDoubleBufferSync(CKNMPIManager::GetCurrentRank()+1, &fTemp, 1, &req);
#endif //DISABLE_MPI_ROUTINE
}

void CKNIPCCUtility::ConvertLower(char *pszBuffer)
{
    int                 i, nLen;

    nLen = strlen(pszBuffer);
    for (i = 0; i < nLen; ++i)
    {
        if (pszBuffer[i] < 'Z')
            pszBuffer[i] += 32;
    }
}