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Commit 66ae50f

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FrankieLi
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Updated with MPI FFTW.
- Added initialization with Voronoi tesselations. - Added MPI/FFTW
1 parent fc7b10d commit 66ae50f

13 files changed

+1186
-165
lines changed

‎Makefile

+8-4
Original file line numberDiff line numberDiff line change
@@ -23,7 +23,11 @@ EXEC = VPFFT++
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#----------------------------------------------------
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PROJ_PATH = ./Src
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PROJ_CPPS = main.cpp LinearAlgebra.cpp Solvers.cpp MaterialGrid.cpp UnitTester.cpp Debug.cpp
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PROJ_CPPS = main.cpp LinearAlgebra.cpp Solvers.cpp MaterialGrid.cpp UnitTester.cpp Debug.cpp Config.cpp Parser.cpp
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#main.cpp LinearAlgebra.cpp Solvers.cpp MaterialGrid.cpp UnitTester.cpp Debug.cpp
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CPPS = $(patsubst %.cpp, $(PROJ_PATH)/%.cpp, $(PROJ_CPPS) )
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@@ -40,7 +44,7 @@ OBJS_DEBUG = $(patsubst %.cpp, %.do, $(CPPS))
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# Specifying precomile external library locations
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#
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#----------------------------------------------------
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INCL = -I. -I${EIGEN_PATH}
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INCL = -I. -I${EIGEN_PATH} -I/opt/local/include/
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#----------------------------------------------------
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#
@@ -61,8 +65,8 @@ DEBUG_FLAGS = -fopenmp -ggdb -DDEBUG_LEVEL_MAX \
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RELEASE_FLAGS += ${LIB_ROOT}
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DEBUG_FLAGS += ${LIB_ROOT}
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64-
LIBS = -lm -lfftw3_threads -lfftw3 -lpthread
65-
CC = /opt/local/bin/g++-mp-4.5 # g++ #icpc
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LIBS = -lm -lfftw3_threads -lfftw3 -lfftw3_mpi -lpthread
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CC = mpic++ # /opt/local/bin/g++-mp-4.5 # g++ #icpc
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‎Src/Config.cpp

+304
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,304 @@
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#include "Config.h"
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namespace Utilities
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{
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//-----------------------------------
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// Read
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//-----------------------------------
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bool ConfigFile::Read( const std::string & ConfigFilename )
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{
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Size_Type nBufferSize = 0;
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char *pBuffer = ReadFileToBuf( nBufferSize, ConfigFilename);
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if( nBufferSize<= 0 || !pBuffer )
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{
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std::cerr << "ERROR: Unable to read config file" << endl;
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return false;
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}
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if( !Parse( std::string( pBuffer, nBufferSize ) ) )
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{
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std::cerr << "ERROR: Unable to parse config file" << endl;
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return false;
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}
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if( pBuffer )
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delete[] pBuffer;
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return true;
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}
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//-----------------------------------
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// Parser
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//-----------------------------------
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bool ConfigFile::Parse( const string & sBuf )
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{
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const char* KeywordStrings[] =
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{
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"#", // comment
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"GridDimension",
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"InputStrainRate",
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"MaxNRIter",
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"TimeStep",
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"NumTimeIter",
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"NRTolerence",
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"TwoGrainInit",
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"FileInit",
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"CRSS",
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"GammaDotBase",
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"RateSensitivity"
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};
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enum EKeyword
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{
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// comment
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eComment,
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eGridDimension,
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eInputStrainRate,
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eMaxNRIter,
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eTimeStep,
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eNumTimeIter,
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eNRTolerence,
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eTwoGrainInit,
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eFileInit,
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eCRSS,
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eGammaDotBase,
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eRateSensitivity,
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// error check on number of keywords
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eNumKeywords
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};
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vector< vector<string> > vsTokens;
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Tokenize( vsTokens, sBuf, " \t\n");
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bool *vInitializationCheck;
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bool *vRequirementCheck;
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vInitializationCheck = new bool[eNumKeywords]; // a check list to see which variable is not initialized
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vRequirementCheck = new bool[eNumKeywords]; // a check list to see which variable is not initialized
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for( int i = 0; i < eNumKeywords; i ++ )
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{
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vInitializationCheck[i] = false;
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vRequirementCheck[i] = true;
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}
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vRequirementCheck[eFileInit] = false;
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vRequirementCheck[eTwoGrainInit] = false;
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for(Size_Type i = 0; i < vsTokens.size(); i ++)
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{
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Size_Type iFirstToken;
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if ( vsTokens[i].size() == 0)
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{
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iFirstToken = eComment;
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}
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else if ( vsTokens[i][0].find_first_of( KeywordStrings[ eComment ] ) == 0) // if first token is comment
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{
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iFirstToken = eComment;
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}
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else
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{
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// Identify the keyword in the beginning of the line
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for( iFirstToken = 0; iFirstToken < eNumKeywords; iFirstToken ++ )
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{
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if(strcmp(KeywordStrings[iFirstToken], vsTokens[i][0].c_str()) == 0)
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break;
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}
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std::cout << i + 1 << " " << KeywordStrings[iFirstToken] << " "
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<< vsTokens[i][0].c_str() << " Token " << iFirstToken << endl;
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}
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vInitializationCheck[ iFirstToken ] = true;
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switch( iFirstToken ) // look at first token of each line
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{
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case eComment: // Comment
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break;
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case eGridDimension:
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RUNTIME_ASSERT( vsTokens[i].size() >= 4,
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"GridDimension: Expect 3 parameters [NumX NumY NumZ]");
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NumX = atoi( vsTokens[i][1].c_str() );
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NumY = atoi( vsTokens[i][2].c_str() );
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NumZ = atoi( vsTokens[i][3].c_str() );
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break;
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case eInputStrainRate:
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{
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bool bSuccess = HasLineContinuation( i, 3, vsTokens, KeywordStrings, eNumKeywords );
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RUNTIME_ASSERT( bSuccess, "InputStrainRate: Expect s00 s11 s22 \n <empty space> s10 s11 s12 \n <empty space> s20 s21 s22 " );
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for(int di = 0; di < 3; di ++ )
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{
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++i;
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InputStrainRate.m[di][0] = atof( vsTokens[i][0].c_str() );
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InputStrainRate.m[di][1] = atof( vsTokens[i][1].c_str() );
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InputStrainRate.m[di][2] = atof( vsTokens[i][2].c_str() );
149+
}
150+
std::cout << "Parsed input strain rate " << std::endl;
151+
std::cout << InputStrainRate << std::endl;
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}
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break;
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case eMaxNRIter:
155+
MaxNRIter = atoi( vsTokens[i][1].c_str() );
156+
break;
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case eTimeStep:
159+
TimeStep = atof( vsTokens[i][1].c_str() );
160+
break;
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case eNumTimeIter:
163+
NumTimeIter = atoi( vsTokens[i][1].c_str() );
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break;
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case eNRTolerence:
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NRTolerence = atof( vsTokens[i][1].c_str() );
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break;
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case eTwoGrainInit:
171+
InitMethod = eInitTwoGrain;
172+
break;
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case eFileInit:
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{
176+
RUNTIME_ASSERT( vsTokens[i].size() >= 2,
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"FileInit: Expect Filename for initialization" );
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InputMicrostructureFilename = vsTokens[i][1];
180+
std::ifstream fd;
181+
fd.open( InputMicrostructureFilename.c_str() );
182+
if( !fd )
183+
{
184+
std::cout << "FileInit " << InputMicrostructureFilename << " Not found " << std::endl;
185+
exit(0);
186+
}
187+
fd.close();
188+
InitMethod = eInitFile;
189+
break;
190+
}
191+
case eCRSS:
192+
RUNTIME_ASSERT( vsTokens[i].size() >= VPFFT::FCC_CrystalTest::NumSystems,
193+
"GridDimension: Expect the same number of parameters as number slip systems in the symmetry\n");
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195+
CRSS.resize( VPFFT::FCC_CrystalTest::NumSystems );
196+
for( int n = 1; n <= VPFFT::FCC_CrystalTest::NumSystems; n ++ )
197+
CRSS[n] = atof( vsTokens[i][n].c_str() );
198+
199+
break;
200+
case eGammaDotBase:
201+
RUNTIME_ASSERT( vsTokens[i].size() >= VPFFT::FCC_CrystalTest::NumSystems,
202+
"GridDimension: Expect the same number of parameters as number slip systems in the symmetry\n");
203+
GammaDotBase.resize( VPFFT::FCC_CrystalTest::NumSystems );
204+
for( int n = 1; n <= VPFFT::FCC_CrystalTest::NumSystems; n ++ )
205+
GammaDotBase[n] = atof( vsTokens[i][n].c_str() );
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207+
break;
208+
case eRateSensitivity:
209+
RUNTIME_ASSERT( vsTokens[i].size() >= VPFFT::FCC_CrystalTest::NumSystems,
210+
"GridDimension: Expect the same number of parameters as number slip systems in the symmetry\n");
211+
RateSensitivity.resize( VPFFT::FCC_CrystalTest::NumSystems );
212+
for( int n = 1; n <= VPFFT::FCC_CrystalTest::NumSystems; n ++ )
213+
RateSensitivity[n] = atoi( vsTokens[i][n].c_str() );
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break;
216+
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default:
218+
{
219+
std::cerr << "[ConfigFile] Error: syntax not recognized: Line " << i
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<< " Keyword: " << vsTokens[i][0] << endl;
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return false;
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}
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}
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} // end loop over tokens
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bool Success = true;
227+
for( int i = 0; i < eNumKeywords; i ++ )
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{
229+
if( !vInitializationCheck[i] && vRequirementCheck[i] )
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{
231+
std::cerr << "[ConfigFile] Initialization Error: Missing parameter: "
232+
<< KeywordStrings[i] << " not optional." << std::endl;
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Success = false;
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}
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}
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if( ! vInitializationCheck[eFileInit] &&
237+
! vInitializationCheck[eTwoGrainInit] )
238+
{
239+
std::cerr << "Initialization scheme (either FileInit or TwoGrain init) needs to be specified." << std::endl;
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Success = false;
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}
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if( !Success )
244+
{
245+
std::cerr << "[ConfigFile] Initialization Failed" << std::endl;
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exit(0);
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}
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delete [] vInitializationCheck;
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delete [] vRequirementCheck;
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std::cout << "GridDimension "
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<< NumX << " "
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<< NumY << " "
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<< NumZ << std::endl;
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std::cout << "InputStrainRate " << std::endl
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<< InputStrainRate << std::endl;
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std::cout << "MaxNRIter " << MaxNRIter << std::endl;
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std::cout << "TimeStep " << TimeStep << std::endl;
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std::cout << "InitMethod " << InitMethod << std::endl;
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}
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//--------------------------------------------
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// Returns a Null terminated C-string
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//--------------------------------------------
267+
char* ConfigFile::ReadFileToBuf( Size_Type & nBufferSize, std::string filename)
268+
{
269+
std::ifstream infile;
270+
infile.open(filename.c_str());
271+
FILE *pFile;
272+
char *pBuffer;
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if ( (pFile = fopen(filename.c_str(), "r" )) == NULL ){
275+
cerr << "[ReadFileToBuf]Cannot Open File: " << filename.c_str() << endl;
276+
return NULL;
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}
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// Get the size of the file
280+
fseek( pFile, 0L, SEEK_END ); // Position to end of file
281+
nBufferSize = ftell( pFile ); // Get file length
282+
rewind( pFile ); // Back to start of file
283+
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if( nBufferSize <= 0 )
285+
return NULL;
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// Read in the entire file and close the file handle
288+
pBuffer = new char[nBufferSize + 1];
289+
290+
if ( fread( pBuffer, nBufferSize, 1, pFile ) <= 0 ){
291+
fclose( pFile );
292+
cerr << "[ReadFileToBuf]:File read error" << endl;
293+
return NULL;
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}
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fclose( pFile );
297+
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pBuffer[ nBufferSize ] = '\0'; // NULL termination of string
299+
return pBuffer;
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}
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}

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