Commit e1a1a3a9 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Fix to inadvertent checkin

parent ad2aebce
......@@ -131,4 +131,4 @@ INCLUDE_DIRECTORIES(BEFORE ${CMAKE_CURRENT_SOURCE_DIR}/src)
# SET(FINDCUDA_DIR ${CMAKE_CURRENT_SOURCE_DIR}/cuda-cmake)
SUBDIRS (sharedTarget staticTarget)
SUBDIRS (sharedTarget)
......@@ -28,7 +28,6 @@
* -------------------------------------------------------------------------- */
#include "openmm/KernelFactory.h"
#include "windowsExportCuda.h"
namespace OpenMM {
......@@ -38,7 +37,7 @@ namespace OpenMM {
class CudaKernelFactory : public KernelFactory {
public:
OPENMMCUDA_EXPORT KernelImpl* createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const;
KernelImpl* createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const;
};
} // namespace OpenMM
......
......@@ -72,7 +72,7 @@ public:
class CudaPlatform::PlatformData {
public:
OPENMMCUDA_EXPORT PlatformData(_gpuContext* gpu);
PlatformData(_gpuContext* gpu);
_gpuContext* gpu;
bool removeCM;
bool hasBonds, hasAngles, hasPeriodicTorsions, hasRB, hasNonbonded, hasCustomNonbonded;
......
......@@ -3,7 +3,6 @@
#
# INCLUDE(${FINDCUDA_DIR}/FindCuda.cmake)
INCLUDE_DIRECTORIES(${CUDA_INCLUDE})
SET(CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} -Xcompiler -DOPENMMCUDA_BUILDING_SHARED_LIBRARY")
LINK_DIRECTORIES(${CUDA_TARGET_LINK})
FOREACH(subdir ${OPENMM_SOURCE_SUBDIRS})
FILE(GLOB src_files ${CMAKE_SOURCE_DIR}/platforms/cuda/${subdir}/src/*.cu ${CMAKE_SOURCE_DIR}/platforms/cuda/${subdir}/src/*/*.cu)
......
......@@ -31,7 +31,7 @@
using namespace OpenMM;
OPENMMCUDA_EXPORT KernelImpl* CudaKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
KernelImpl* CudaKernelFactory::createKernelImpl(std::string name, const Platform& platform, ContextImpl& context) const {
CudaPlatform::PlatformData& data = *static_cast<CudaPlatform::PlatformData*>(context.getPlatformData());
if (name == CalcForcesAndEnergyKernel::Name())
return new CudaCalcForcesAndEnergyKernel(name, platform, data);
......
......@@ -767,10 +767,8 @@ void OPENMMCUDA_EXPORT OpenMM::cudaOpenMMInitializeIntegration(const System& sys
if (!data.hasNonbonded) {
gpuSetCoulombParameters(gpu, (float) ONE_4PI_EPS0, vector<int>(), vector<float>(), vector<float>(), vector<float>(), vector<char>(), vector<vector<int> >(), NO_CUTOFF);
gpuSetLJ14Parameters(gpu, (float) ONE_4PI_EPS0, 1.0f, vector<int>(), vector<int>(), vector<float>(), vector<float>(), vector<float>(), vector<float>());
/*
if (gpu->bIncludeGBSA || gpu->bIncludeGBVI)
throw OpenMMException("CudaPlatform requires GBSAOBCForce and GBVIForce to be used with a NonbondedForce");
*/
}
// Set masses.
......
......@@ -23,20 +23,20 @@
*/
#ifndef __RealOpenMMOpenMMSimTk_H_
#define __RealOpenMMOpenMMSimTk_H__
#ifndef __RealSimTk_H_
#define __RealSimTk_H__
#include <math.h>
// Set RealOpenMMOpenMMOpenMMType to 2 for double precision, 1 for float
// Set RealOpenMMType to 2 for double precision, 1 for float
#ifndef RealOpenMMOpenMMOpenMMType
#define RealOpenMMOpenMMOpenMMType 2
#ifndef RealOpenMMType
#define RealOpenMMType 2
#endif
#if RealOpenMMOpenMMOpenMMType == 1
#if RealOpenMMType == 1
#define RealOpenMMOpenMMOpenMM float
#define RealOpenMM float
#define SQRT sqrtf
#define POW powf
#define SIN sinf
......@@ -67,7 +67,6 @@
#else
#define RealOpenMM double
#define Real double
#define SQRT sqrt
#define POW pow
#define SIN sin
......@@ -144,4 +143,4 @@
#define ENM2DEBYE 48.0321 /* Convert electron nm to debye */
#define DEBYE2ENM 0.02081941
#endif // __RealOpenMMOpenMMSimTk_H__
#endif // __RealSimTk_H__
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