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Commit 55081e21 authored by Peter Eastman's avatar Peter Eastman
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Tony's changes to error handling in the CUDA platform so it throws exceptions... 

Tony's changes to error handling in the CUDA platform so it throws exceptions instead of calling exit()
parent 832794f5
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Showing with 597 additions and 591 deletions
libraries/validate/src/ValidateOpenMMForces.cpp
View file @ 55081e21
......@@ -24,6 +24,9 @@
* along with this program. If not, see <http://www.gnu.org/licenses/>. *
* -------------------------------------------------------------------------- */
#include <iostream>
#include <sstream>
#include "openmm/OpenMMException.h"
#include "ValidateOpenMMForces.h"
using namespace OpenMM;
......@@ -547,8 +550,10 @@ ForceValidationResult* ValidateOpenMMForces::compareForce(Context& context, std:
for( int ii = 0; ii < system.getNumForces(); ii++ ){
std::string forceName = getForceName( system.getForce( ii ) );
if( forceName.compare( "NA" ) == 0 ){
(void) fprintf( stderr, "Force at index=%d not found -- aborting!\n", ii );
exit(-1);
std::stringstream message;
message << "Force at index=" << ii << " not found -- aborting!";
std::cerr << message << std::endl;
throw OpenMM::OpenMMException(message.str());
}
systemForceNameMap[forceName] = ii;
systemForceNameIndex[ii] = forceName;
......
platforms/cuda/sharedTarget/CMakeLists.txt
View file @ 55081e21
......@@ -11,6 +11,7 @@ FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/platforms/cuda/${subdir}/src)
ENDFOREACH(subdir)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/jama/include)
CUDA_INCLUDE_DIRECTORIES(BEFORE ${CMAKE_SOURCE_DIR}/openmmapi/include)
IF (UNIX AND CMAKE_BUILD_TYPE MATCHES Debug)
SET(MAIN_OPENMM_LIB ${OPENMM_LIBRARY_NAME}_d)
......
platforms/cuda/src/kernels/cudatypes.h
View file @ 55081e21
......@@ -38,19 +38,18 @@
#include <cufft.h>
#include <builtin_types.h>
#include <vector_functions.h>
#include "openmm/OpenMMException.h"
#define RTERROR(status, s) \
if (status != cudaSuccess) { \
printf("%s %s\n", s, cudaGetErrorString(status)); \
exit(-1); \
throw OpenMM::OpenMMException(std::string(s) + " " + cudaGetErrorString(status)); \
}
#define LAUNCHERROR(s) \
{ \
cudaError_t status = cudaGetLastError(); \
if (status != cudaSuccess) { \
printf("Error: %s launching kernel %s\n", cudaGetErrorString(status), s); \
exit(-1); \
throw OpenMM::OpenMMException(std::string("Error: ") + cudaGetErrorString(status) + " launching kernel " + s); \
} \
}
......
platforms/reference/src/SimTKUtilities/SimTKOpenMMLog.cpp
View file @ 55081e21
......@@ -24,6 +24,7 @@
#include "SimTKOpenMMLog.h"
#include <stdlib.h>
#include "openmm/OpenMMException.h"
// static settings
......@@ -291,13 +292,13 @@ void SimTKOpenMMLog::printError( const std::stringstream& message ){
// ---------------------------------------------------------------------------------------
if( _simTKOpenMMLog ){
std::stringstream messageWithHeader;
messageWithHeader << "Error: " << message.str();
if( _simTKOpenMMLog ){
_simTKOpenMMLog->logMessage( messageWithHeader );
} else {
(void) fprintf( stderr, "Error: %s", message.str().c_str() );
(void) fprintf( stderr, "%s", messageWithHeader.str().c_str() );
(void) fflush( stderr );
}
exit(-1);
throw OpenMM::OpenMMException(messageWithHeader.str());
}
plugins/amoeba/platforms/cuda/tests/AmoebaTinkerParameterFile.cpp
View file @ 55081e21
......@@ -411,7 +411,6 @@ static int readVectorOfDoubleVectors( FILE* filePtr, const StringVector& tokens,
char buffer[1024];
(void) sprintf( buffer, "%s no %s entries?\n", methodName.c_str(), typeName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberToRead = atoi( tokens[1].c_str() );
......@@ -435,7 +434,6 @@ static int readVectorOfDoubleVectors( FILE* filePtr, const StringVector& tokens,
char buffer[1024];
(void) sprintf( buffer, "%s %s tokens incomplete at line=%d\n", methodName.c_str(), typeName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -491,7 +489,6 @@ static int readVectorOfIntVectors( FILE* filePtr, const StringVector& tokens, st
char buffer[1024];
(void) sprintf( buffer, "%s no %s entries?\n", methodName.c_str(), typeName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberToRead = atoi( tokens[1].c_str() );
......@@ -514,7 +511,6 @@ static int readVectorOfIntVectors( FILE* filePtr, const StringVector& tokens, st
char buffer[1024];
(void) sprintf( buffer, "%s %s tokens incomplete at line=%d\n", methodName.c_str(), typeName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -574,7 +570,6 @@ static int readIntVector( FILE* filePtr, const StringVector& tokens, int numberT
char buffer[1024];
(void) sprintf( buffer, "%s no %s entries?\n", methodName.c_str(), typeName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberToRead = atoi( tokens[numberTokenIndex].c_str() );
......@@ -630,7 +625,6 @@ static int readParticles( FILE* filePtr, const StringVector& tokens, System& sys
char buffer[1024];
(void) sprintf( buffer, "%s no particles number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberOfParticles = atoi( tokens[1].c_str() );
......@@ -667,7 +661,6 @@ static int readMasses( FILE* filePtr, const StringVector& tokens, System& system
char buffer[1024];
(void) sprintf( buffer, "%s no particle masses?\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberOfParticles = atoi( tokens[1].c_str() );
......@@ -686,7 +679,6 @@ static int readMasses( FILE* filePtr, const StringVector& tokens, System& system
char buffer[1024];
(void) sprintf( buffer, "%s particle tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -741,7 +733,6 @@ static int readAmoebaHarmonicBondParameters( FILE* filePtr, MapStringInt& forceM
char buffer[1024];
(void) sprintf( buffer, "%s no bonds number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaHarmonicBondForce* bondForce = new AmoebaHarmonicBondForce();
......@@ -771,8 +762,10 @@ static int readAmoebaHarmonicBondParameters( FILE* filePtr, MapStringInt& forceM
double k = atof( lineTokens[tokenIndex++].c_str() );
bondForce->addBond( particle1, particle2, length, k );
} else {
(void) fprintf( log, "%s AmoebaHarmonicBondForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaHarmonicBondForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -911,7 +904,6 @@ static int readAmoebaHarmonicAngleParameters( FILE* filePtr, MapStringInt& force
char buffer[1024];
(void) sprintf( buffer, "%s no angles number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaHarmonicAngleForce* angleForce = new AmoebaHarmonicAngleForce();
......@@ -943,8 +935,10 @@ static int readAmoebaHarmonicAngleParameters( FILE* filePtr, MapStringInt& force
double k = atof( lineTokens[tokenIndex++].c_str() );
angleForce->addAngle( particle1, particle2, particle3, angle, k );
} else {
(void) fprintf( log, "%s AmoebaHarmonicAngleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaHarmonicAngleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1052,7 +1046,6 @@ static int readAmoebaHarmonicInPlaneAngleParameters( FILE* filePtr, MapStringInt
char buffer[1024];
(void) sprintf( buffer, "%s no angles number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaHarmonicInPlaneAngleForce* angleForce = new AmoebaHarmonicInPlaneAngleForce();
......@@ -1084,8 +1077,10 @@ static int readAmoebaHarmonicInPlaneAngleParameters( FILE* filePtr, MapStringInt
double k = atof( lineTokens[tokenIndex++].c_str() );
angleForce->addAngle( particle1, particle2, particle3, particle4, angle, k );
} else {
(void) fprintf( log, "%s AmoebaHarmonicInPlaneAngleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaHarmonicInPlaneAngleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1194,7 +1189,6 @@ static int readAmoebaTorsionParameters( FILE* filePtr, MapStringInt& forceMap, c
char buffer[1024];
(void) sprintf( buffer, "%s no torsions number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaTorsionForce* torsionForce = new AmoebaTorsionForce();
......@@ -1244,8 +1238,10 @@ static int readAmoebaTorsionParameters( FILE* filePtr, MapStringInt& forceMap, c
torsionForce->addTorsion( particle1, particle2, particle3, particle4, torsion1, torsion2, torsion3 );
} else {
(void) fprintf( log, "%s AmoebaTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1325,7 +1321,6 @@ static int readAmoebaPiTorsionParameters( FILE* filePtr, MapStringInt& forceMap,
char buffer[1024];
(void) sprintf( buffer, "%s no pi torsions number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaPiTorsionForce* piTorsionForce = new AmoebaPiTorsionForce();
......@@ -1361,8 +1356,10 @@ static int readAmoebaPiTorsionParameters( FILE* filePtr, MapStringInt& forceMap,
piTorsionForce->addPiTorsion( particle1, particle2, particle3, particle4, particle5, particle6, k );
} else {
(void) fprintf( log, "%s AmoebaPiTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaPiTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1437,7 +1434,6 @@ static int readAmoebaStretchBendParameters( FILE* filePtr, MapStringInt& forceMa
char buffer[1024];
(void) sprintf( buffer, "%s no stretchBends number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -1474,8 +1470,10 @@ static int readAmoebaStretchBendParameters( FILE* filePtr, MapStringInt& forceMa
double k = atof( lineTokens[tokenIndex++].c_str() );
stretchBendForce->addStretchBend( particle1, particle2, particle3, lengthAB, lengthCB, angle, k );
} else {
(void) fprintf( log, "%s AmoebaStretchBendForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaStretchBendForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1551,7 +1549,6 @@ static int readAmoebaOutOfPlaneBendParameters( FILE* filePtr, MapStringInt& forc
char buffer[1024];
(void) sprintf( buffer, "%s no outOfPlaneBends number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -1587,8 +1584,10 @@ static int readAmoebaOutOfPlaneBendParameters( FILE* filePtr, MapStringInt& forc
double k = atof( lineTokens[tokenIndex++].c_str() );
outOfPlaneBendForce->addOutOfPlaneBend( particle1, particle2, particle3, particle4, k );
} else {
(void) fprintf( log, "%s AmoebaOutOfPlaneBendForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaOutOfPlaneBendForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1730,8 +1729,10 @@ static int readAmoebaTorsionTorsionGrid( FILE* filePtr, int numX, int numY, Tors
}
grid[xIndex][yIndex] = values;
} else {
(void) fprintf( log, "%s grid tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s grid tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1822,7 +1823,6 @@ static int readAmoebaTorsionTorsionParameters( FILE* filePtr, MapStringInt& forc
char buffer[1024];
(void) sprintf( buffer, "%s no torsionTorsions number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -1860,8 +1860,10 @@ static int readAmoebaTorsionTorsionParameters( FILE* filePtr, MapStringInt& forc
int gridIndex = atoi( lineTokens[tokenIndex++].c_str() );
torsionTorsionForce->addTorsionTorsion( particle1, particle2, particle3, particle4, particle5, chiralAtomIndex, gridIndex );
} else {
(void) fprintf( log, "%s AmoebaTorsionTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaTorsionTorsionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -1954,7 +1956,6 @@ static int readAmoebaUreyBradleyParameters( FILE* filePtr, MapStringInt& forceMa
char buffer[1024];
(void) sprintf( buffer, "%s no UB parameter number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaUreyBradleyForce* ubForce = new AmoebaUreyBradleyForce();
......@@ -1987,8 +1988,10 @@ static int readAmoebaUreyBradleyParameters( FILE* filePtr, MapStringInt& forceMa
(void) fprintf( log, "%s AmoebaUreyBradleyForce %9d %8d [%8d %8d] %12.4f %12.4f\n", methodName.c_str(), *lineCount, index, particle1, particle2, length, k);
(void) fflush( log );
} else {
(void) fprintf( log, "%s AmoebaUreyBradleyForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaUreyBradleyForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -2153,7 +2156,6 @@ static int readAmoebaMultipoleParameters( FILE* filePtr, int version, MapStringI
char buffer[1024];
(void) sprintf( buffer, "%s no multipoles number entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -2266,9 +2268,11 @@ static int readAmoebaMultipoleParameters( FILE* filePtr, int version, MapStringI
quadrupole[8] = atof( lineTokens[tokenIndex++].c_str() );
multipoleForce->addParticle( charge, dipole, quadrupole, axisType, zAxis, xAxis, yAxis, tholeDamp, pdamp, polarity );
} else {
(void) fprintf( log, "%s AmoebaMultipoleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaMultipoleForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
(void) fflush( log );
exit(-1);
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -2493,7 +2497,6 @@ static int readAmoebaGeneralizedKirkwoodParameters( FILE* filePtr, MapStringInt&
char buffer[1024];
(void) sprintf( buffer, "%s no GK terms entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
AmoebaGeneralizedKirkwoodForce* gbsaObcForce = new AmoebaGeneralizedKirkwoodForce();
......@@ -2526,7 +2529,6 @@ static int readAmoebaGeneralizedKirkwoodParameters( FILE* filePtr, MapStringInt&
char buffer[1024];
(void) sprintf( buffer, "%s GK force tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -2548,13 +2550,11 @@ static int readAmoebaGeneralizedKirkwoodParameters( FILE* filePtr, MapStringInt&
char buffer[1024];
(void) sprintf( buffer, "%s read past GK block at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
} else {
char buffer[1024];
(void) sprintf( buffer, "%s invalid token count at line=%d?\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -2674,7 +2674,6 @@ static int readAmoebaVdwParameters( FILE* filePtr, int version, MapStringInt& fo
char buffer[1024];
(void) sprintf( buffer, "%s no vdw entries???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -2711,8 +2710,10 @@ static int readAmoebaVdwParameters( FILE* filePtr, int version, MapStringInt& fo
double reduction = atof( lineTokens[tokenIndex++].c_str() );
vdwForce->addParticle( indexIV, indexClass, sigma, epsilon, reduction );
} else {
(void) fprintf( log, "%s AmoebaVdwForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaVdwForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -2735,7 +2736,6 @@ static int readAmoebaVdwParameters( FILE* filePtr, int version, MapStringInt& fo
(void) sprintf( buffer, "Vdw scaling factors different from assummed values [0.0 0.0 1.0 1.0] [%12.5e %12.5e %12.5e %12.5e]\n",
scale2, scale3, scale4, scale5 );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -2772,8 +2772,10 @@ static int readAmoebaVdwParameters( FILE* filePtr, int version, MapStringInt& fo
}
vdwForce->setParticleExclusions( ii, exclusions );
} else {
(void) fprintf( log, "%s AmoebaVdwForce exclusion tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaVdwForce exclusion tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
}
......@@ -2793,7 +2795,6 @@ static int readAmoebaVdwParameters( FILE* filePtr, int version, MapStringInt& fo
(void) sprintf( buffer, "Vdw hal values different from assummed values [0.07 0.12 ] [%12.5e %12.5e]\n",
hal1, hal2 );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -2895,7 +2896,6 @@ static int readAmoebaWcaDispersionParameters( FILE* filePtr, MapStringInt& force
char buffer[1024];
(void) sprintf( buffer, "%s no wca entries???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// create force
......@@ -2936,8 +2936,10 @@ static int readAmoebaWcaDispersionParameters( FILE* filePtr, MapStringInt& force
}
} else {
(void) fprintf( log, "%s AmoebaWcaDispersionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s AmoebaWcaDispersionForce tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
}
......@@ -2972,13 +2974,11 @@ static int readAmoebaWcaDispersionParameters( FILE* filePtr, MapStringInt& force
char buffer[1024];
(void) sprintf( buffer, "%s read past WcaDispersion block at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
} else {
char buffer[1024];
(void) sprintf( buffer, "%s invalid token count at line=%d?\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -3091,7 +3091,10 @@ static int readAmoebaWcaDispersionParameters( FILE* filePtr, MapStringInt& force
}
}
if( errors ){
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s encountered %d errors in maxDispEnergy\n", methodName.c_str(), errors );
(void) fprintf( log, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
} else {
(void) fprintf( log, "No errors detected in maxDispEnergy!\n" );
}
......@@ -3130,7 +3133,6 @@ static int readConstraints( FILE* filePtr, const StringVector& tokens, System& s
char buffer[1024];
(void) sprintf( buffer, "%s no constraints terms entry???\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
setIntFromMap( inputArgumentMap, "applyConstraints", applyConstraints);
......@@ -3158,7 +3160,6 @@ static int readConstraints( FILE* filePtr, const StringVector& tokens, System& s
char buffer[1024];
(void) sprintf( buffer, "%s constraint tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -3221,7 +3222,6 @@ static Integrator* readIntegrator( FILE* filePtr, const StringVector& tokens, Sy
char buffer[1024];
(void) sprintf( buffer, "%s integrator name missing?\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
std::string integratorName = tokens[1];
......@@ -3244,9 +3244,11 @@ static Integrator* readIntegrator( FILE* filePtr, const StringVector& tokens, Sy
} else if( integratorName == "BrownianIntegrator" ){
readLines = 5;
} else {
(void) fprintf( log, "%s integrator=%s not recognized.\n", methodName.c_str(), integratorName.c_str() );
char buffer[1024];
(void) sprintf( buffer, "%s integrator=%s not recognized.\n", methodName.c_str(), integratorName.c_str() );
(void) fprintf( log, "%s", buffer );
(void) fflush( log );
exit(-1);
throwException(__FILE__, __LINE__, buffer );
}
// read in parameters
......@@ -3275,15 +3277,16 @@ static Integrator* readIntegrator( FILE* filePtr, const StringVector& tokens, Sy
} else if( lineTokens[0] == "RandomNumberSeed" ){
randomNumberSeed = atoi( lineTokens[1].c_str() );
} else {
(void) fprintf( log, "%s integrator field=%s not recognized.\n", methodName.c_str(), lineTokens[0].c_str() );
char buffer[1024];
(void) sprintf( buffer, "%s integrator field=%s not recognized.\n", methodName.c_str(), lineTokens[0].c_str() );
(void) fprintf( log, "%s", buffer );
(void) fflush( log );
exit(-1);
throwException(__FILE__, __LINE__, buffer );
}
} else {
char buffer[1024];
(void) sprintf( buffer, "%s integrator parameters incomplete at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -3359,7 +3362,6 @@ static int readVec3( FILE* filePtr, const StringVector& tokens, std::vector<Vec3
char buffer[1024];
(void) sprintf( buffer, "%s no entries?\n", methodName.c_str() );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
int numberOfCoordinates= atoi( tokens[1].c_str() );
......@@ -3380,7 +3382,6 @@ static int readVec3( FILE* filePtr, const StringVector& tokens, std::vector<Vec3
char buffer[1024];
(void) sprintf( buffer, "%s coordinates tokens incomplete at line=%d\n", methodName.c_str(), *lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
......@@ -3945,7 +3946,6 @@ Integrator* readAmoebaParameterFile( const std::string& inputParameterFile, MapS
char buffer[1024];
(void) sprintf( buffer, "Field=<%s> not recognized at line=%d.\n", field.c_str(), lineCount );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
}
}
......@@ -4682,9 +4682,10 @@ void checkIntermediateStatesUsingAmoebaTinkerParameterFile( const std::string& a
StringVectorVector fileContents;
if( readFile( statesFileName, fileContents, log ) ){
(void) fprintf( stderr, "%s: File %s not read.\n", methodName.c_str(), statesFileName.c_str() );
(void) fflush( stderr );
exit(-1);
char buffer[1024];
(void) sprintf( buffer, "%s: File %s not read.\n", methodName.c_str(), statesFileName.c_str() );
(void) fprintf( stderr, "%s", buffer );
throwException(__FILE__, __LINE__, buffer );
}
unsigned int lineIndex = 0;
unsigned int stateIndex = 0;
......@@ -5961,7 +5962,6 @@ void testEnergyConservation( std::string parameterFileName, MapStringInt& forceM
char buffer[1024];
(void) sprintf( buffer, "%s nans detected at time %12.3f -- aborting.\n", methodName.c_str(), currentTime );
throwException(__FILE__, __LINE__, buffer );
exit(-1);
}
// check constraints
......
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