Commit d21bf41a authored by John Chodera's avatar John Chodera
Browse files

Fixed uninitialized value problem with setting box vectors. This caused...

Fixed uninitialized value problem with setting box vectors.  This caused sporadic multithreading issues on Linux platforms.
parent 1e216bbc
......@@ -295,7 +295,7 @@ void CudaFreeEnergyCalcNonbondedSoftcoreForceKernel::initialize(const System& sy
}
Vec3 boxVectors[3];
system.getPeriodicBoxVectors(boxVectors[0], boxVectors[1], boxVectors[2]);
//gpuSetPeriodicBoxSize(gpu, static_cast<float>(boxVectors[0][0] ), static_cast<float>(boxVectors[1][1] ), static_cast<float>(boxVectors[2][2] ));
gpuSetPeriodicBoxSize(gpu, static_cast<float>(boxVectors[0][0] ), static_cast<float>(boxVectors[1][1] ), static_cast<float>(boxVectors[2][2] ));
CudaNonbondedMethod method = NO_CUTOFF;
if (force.getNonbondedMethod() != NonbondedSoftcoreForce::NoCutoff) {
throw OpenMMException( "NonbondedSoftcoreForce currently only handles NoCutoff option." );
......
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