Commit 4130dac8 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Fix to inadvertent checkin

parent 62cf5c93
...@@ -48,7 +48,7 @@ extern void kCalculateCustomTorsionForces(gpuContext gpu); ...@@ -48,7 +48,7 @@ extern void kCalculateCustomTorsionForces(gpuContext gpu);
extern void kCalculateCustomExternalForces(gpuContext gpu); extern void kCalculateCustomExternalForces(gpuContext gpu);
extern void kCalculateCustomNonbondedForces(gpuContext gpu, bool neighborListValid); extern void kCalculateCustomNonbondedForces(gpuContext gpu, bool neighborListValid);
extern void kReduceObcGbsaBornForces(gpuContext gpu); extern void kReduceObcGbsaBornForces(gpuContext gpu);
extern void OPENMMCUDA_EXPORT kCalculateObcGbsaForces2(gpuContext gpu); extern void kCalculateObcGbsaForces2(gpuContext gpu);
extern void kCalculateGBVIForces2(gpuContext gpu); extern void kCalculateGBVIForces2(gpuContext gpu);
extern void kCalculateLocalForces(gpuContext gpu); extern void kCalculateLocalForces(gpuContext gpu);
extern void kCalculateAndersenThermostat(gpuContext gpu); extern void kCalculateAndersenThermostat(gpuContext gpu);
......
...@@ -58,7 +58,6 @@ using namespace std; ...@@ -58,7 +58,6 @@ using namespace std;
// make sure that erf() and erfc() are defined. // make sure that erf() and erfc() are defined.
#include "openmm/internal/MSVC_erfc.h" #include "openmm/internal/MSVC_erfc.h"
#include "openmm/internal/windowsExport.h" #include "openmm/internal/windowsExport.h"
#include "windowsExportCuda.h"
using OpenMM::OpenMMException; using OpenMM::OpenMMException;
using Lepton::Operation; using Lepton::Operation;
...@@ -1789,7 +1788,7 @@ bool gpuIsAvailable() ...@@ -1789,7 +1788,7 @@ bool gpuIsAvailable()
} }
extern "C" extern "C"
void* gpuInit(int numAtoms, unsigned int device, bool useBlockingSync) void* gpuInit(int numAtoms, unsigned int device, bool useBlockingSync)
{ {
gpuContext gpu = new _gpuContext; gpuContext gpu = new _gpuContext;
int LRFSize = 0; int LRFSize = 0;
......
...@@ -272,7 +272,7 @@ extern "C" ...@@ -272,7 +272,7 @@ extern "C"
void OPENMMCUDA_EXPORT gpuInitializeRandoms(gpuContext gpu); void OPENMMCUDA_EXPORT gpuInitializeRandoms(gpuContext gpu);
extern "C" extern "C"
OPENMMCUDA_EXPORT void* gpuInit(int numAtoms, unsigned int device = 0, bool useBlockingSync = false); void* gpuInit(int numAtoms, unsigned int device = 0, bool useBlockingSync = false);
extern "C" extern "C"
void gpuSetLangevinIntegrationParameters(gpuContext gpu, float tau, float deltaT, float temperature, float errorTol); void gpuSetLangevinIntegrationParameters(gpuContext gpu, float tau, float deltaT, float temperature, float errorTol);
......
...@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel() ...@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel()
} }
} }
void OPENMMCUDA_EXPORT kReduceObcGbsaBornSum(gpuContext gpu) void kReduceObcGbsaBornSum(gpuContext gpu)
{ {
// printf("kReduceObcGbsaBornSum\n"); // printf("kReduceObcGbsaBornSum\n");
kReduceObcGbsaBornSum_kernel<<<gpu->sim.blocks, 384>>>(); kReduceObcGbsaBornSum_kernel<<<gpu->sim.blocks, 384>>>();
...@@ -141,7 +141,7 @@ void OPENMMCUDA_EXPORT kReduceObcGbsaBornSum(gpuContext gpu) ...@@ -141,7 +141,7 @@ void OPENMMCUDA_EXPORT kReduceObcGbsaBornSum(gpuContext gpu)
LAUNCHERROR("kReduceObcGbsaBornSum"); LAUNCHERROR("kReduceObcGbsaBornSum");
} }
void OPENMMCUDA_EXPORT kCalculateObcGbsaBornSum(gpuContext gpu) void kCalculateObcGbsaBornSum(gpuContext gpu)
{ {
// printf("kCalculateObcgbsaBornSum\n"); // printf("kCalculateObcgbsaBornSum\n");
switch (gpu->sim.nonbondedMethod) switch (gpu->sim.nonbondedMethod)
......
...@@ -99,7 +99,7 @@ void GetCalculateObcGbsaForces2Sim(gpuContext gpu) ...@@ -99,7 +99,7 @@ void GetCalculateObcGbsaForces2Sim(gpuContext gpu)
#define METHOD_NAME(a, b) a##PeriodicByWarp##b #define METHOD_NAME(a, b) a##PeriodicByWarp##b
#include "kCalculateObcGbsaForces2.h" #include "kCalculateObcGbsaForces2.h"
void OPENMMCUDA_EXPORT kCalculateObcGbsaForces2(gpuContext gpu) void kCalculateObcGbsaForces2(gpuContext gpu)
{ {
//printf("kCalculateObcGbsaForces2\n"); //printf("kCalculateObcGbsaForces2\n");
switch (gpu->sim.nonbondedMethod) switch (gpu->sim.nonbondedMethod)
......
...@@ -39,7 +39,7 @@ using namespace std; ...@@ -39,7 +39,7 @@ using namespace std;
static __constant__ cudaGmxSimulation cSim; static __constant__ cudaGmxSimulation cSim;
void OPENMMCUDA_EXPORT SetForcesSim(gpuContext gpu) void SetForcesSim(gpuContext gpu)
{ {
cudaError_t status; cudaError_t status;
status = cudaMemcpyToSymbol(cSim, &gpu->sim, sizeof(cudaGmxSimulation)); status = cudaMemcpyToSymbol(cSim, &gpu->sim, sizeof(cudaGmxSimulation));
...@@ -65,7 +65,7 @@ void kClearForces_kernel() ...@@ -65,7 +65,7 @@ void kClearForces_kernel()
} }
} }
void OPENMMCUDA_EXPORT kClearForces(gpuContext gpu) void kClearForces(gpuContext gpu)
{ {
// printf("kClearForces\n"); // printf("kClearForces\n");
kClearForces_kernel<<<gpu->sim.blocks, 384>>>(); kClearForces_kernel<<<gpu->sim.blocks, 384>>>();
...@@ -279,7 +279,7 @@ void kReduceForces_kernel() ...@@ -279,7 +279,7 @@ void kReduceForces_kernel()
} }
} }
void OPENMMCUDA_EXPORT kReduceForces(gpuContext gpu) void kReduceForces(gpuContext gpu)
{ {
// printf("kReduceForces\n"); // printf("kReduceForces\n");
kReduceForces_kernel<<<gpu->sim.blocks, gpu->sim.bsf_reduce_threads_per_block>>>(); kReduceForces_kernel<<<gpu->sim.blocks, gpu->sim.bsf_reduce_threads_per_block>>>();
......
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