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Commit 0a930401 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Mods required for Windows

parent 8f0e6d3c
......@@ -32,7 +32,6 @@
*
*/
#include <vector>
#include "../../../tests/AssertionUtilities.h"
#include "CudaPlatform.h"
......@@ -61,6 +60,10 @@
#include "openmm/BrownianIntegrator.h"
#include "../src/sfmt/SFMT.h"
#include <ctime>
#include <vector>
#include <cfloat>
// force enums
#define MAX_PRINT 5
......@@ -2262,7 +2265,7 @@ static int checkEnergyForceConsistent( Context& context, double delta, double to
double step = delta/forceNorm;
std::vector<Vec3> perturbedPositions;
perturbedPositions.resize( forces.size() );
for( int ii = 0; ii < forces.size(); ii++ ){
for( unsigned int ii = 0; ii < forces.size(); ii++ ){
perturbedPositions[ii] = Vec3( coordinates[ii][0] - step*forces[ii][0], coordinates[ii][1] - step*forces[ii][1], coordinates[ii][2] - step*forces[ii][2] );
}
......@@ -2339,7 +2342,8 @@ Integrator* _getIntegrator( std::string& integratorName, double timeStep,
integrator = new LangevinIntegrator( temperature, friction, timeStep );
LangevinIntegrator* langevinIntegrator = dynamic_cast<LangevinIntegrator*>(integrator);
if( randomNumberSeed <= 0 ){
langevinIntegrator->setRandomNumberSeed(time(NULL));
time_t zero = time(NULL);
langevinIntegrator->setRandomNumberSeed(static_cast<int>(zero));
} else {
langevinIntegrator->setRandomNumberSeed( randomNumberSeed );
}
......@@ -2347,7 +2351,8 @@ Integrator* _getIntegrator( std::string& integratorName, double timeStep,
integrator = new VariableLangevinIntegrator( temperature, friction, errorTolerance );
VariableLangevinIntegrator* langevinIntegrator = dynamic_cast<VariableLangevinIntegrator*>(integrator);
if( randomNumberSeed <= 0 ){
langevinIntegrator->setRandomNumberSeed(time(NULL));
time_t zero = time(NULL);
langevinIntegrator->setRandomNumberSeed(static_cast<int>(zero));
} else {
langevinIntegrator->setRandomNumberSeed( randomNumberSeed );
}
......@@ -3500,18 +3505,18 @@ void testEnergyForcesConsistent( std::string parameterFileName, int forceFlag, d
#endif
if( log ){
(void) fprintf( log, "%s Testing reference platform\n", methodName.c_str() );
(void) fprintf( log, "%s Testing cuda platform\n", methodName.c_str() );
(void) fflush( log );
}
checkEnergyForceConsistent( *referenceOpenMMContext, delta, tolerance, log );
checkEnergyForceConsistent( *cudaOpenMMContext, delta, tolerance, log );
if( log ){
(void) fprintf( log, "%s Testing cuda platform\n", methodName.c_str() );
(void) fprintf( log, "%s Testing reference platform\n", methodName.c_str() );
(void) fflush( log );
}
checkEnergyForceConsistent( *cudaOpenMMContext, delta, tolerance, log );
checkEnergyForceConsistent( *referenceOpenMMContext, delta, tolerance, log );
}
void testEnergyConservation( std::string parameterFileName, int forceFlag, int totalSimulationSteps, FILE* inputLog ){
......
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