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tsoc
openmm
Commits
3f2acaf0
Commit
3f2acaf0
authored
Jun 04, 2010
by
Mark Friedrichs
Browse files
Added Window's dll exports for methods used by Amoeba
parent
6c4f16f9
Changes
9
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9 changed files
with
13 additions
and
12 deletions
+13
-12
platforms/cuda/include/CudaKernelFactory.h
platforms/cuda/include/CudaKernelFactory.h
+2
-1
platforms/cuda/include/CudaPlatform.h
platforms/cuda/include/CudaPlatform.h
+1
-1
platforms/cuda/src/CudaKernelFactory.cpp
platforms/cuda/src/CudaKernelFactory.cpp
+1
-1
platforms/cuda/src/kernels/cudaKernels.h
platforms/cuda/src/kernels/cudaKernels.h
+1
-1
platforms/cuda/src/kernels/gputypes.h
platforms/cuda/src/kernels/gputypes.h
+1
-1
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.cu
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.cu
+2
-2
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.cu
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.cu
+1
-1
platforms/cuda/src/kernels/kForces.cu
platforms/cuda/src/kernels/kForces.cu
+3
-3
platforms/reference/src/SimTKUtilities/SimTKOpenMMRealType.h
platforms/reference/src/SimTKUtilities/SimTKOpenMMRealType.h
+1
-1
No files found.
platforms/cuda/include/CudaKernelFactory.h
View file @
3f2acaf0
...
@@ -28,6 +28,7 @@
...
@@ -28,6 +28,7 @@
* -------------------------------------------------------------------------- */
* -------------------------------------------------------------------------- */
#include "openmm/KernelFactory.h"
#include "openmm/KernelFactory.h"
#include "windowsExportCuda.h"
namespace
OpenMM
{
namespace
OpenMM
{
...
@@ -37,7 +38,7 @@ namespace OpenMM {
...
@@ -37,7 +38,7 @@ namespace OpenMM {
class
CudaKernelFactory
:
public
KernelFactory
{
class
CudaKernelFactory
:
public
KernelFactory
{
public:
public:
KernelImpl
*
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
ContextImpl
&
context
)
const
;
OPENMMCUDA_EXPORT
KernelImpl
*
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
ContextImpl
&
context
)
const
;
};
};
}
// namespace OpenMM
}
// namespace OpenMM
...
...
platforms/cuda/include/CudaPlatform.h
View file @
3f2acaf0
...
@@ -72,7 +72,7 @@ public:
...
@@ -72,7 +72,7 @@ public:
class
CudaPlatform
::
PlatformData
{
class
CudaPlatform
::
PlatformData
{
public:
public:
PlatformData
(
_gpuContext
*
gpu
);
OPENMMCUDA_EXPORT
PlatformData
(
_gpuContext
*
gpu
);
_gpuContext
*
gpu
;
_gpuContext
*
gpu
;
bool
removeCM
;
bool
removeCM
;
bool
hasBonds
,
hasAngles
,
hasPeriodicTorsions
,
hasRB
,
hasNonbonded
,
hasCustomNonbonded
;
bool
hasBonds
,
hasAngles
,
hasPeriodicTorsions
,
hasRB
,
hasNonbonded
,
hasCustomNonbonded
;
...
...
platforms/cuda/src/CudaKernelFactory.cpp
View file @
3f2acaf0
...
@@ -31,7 +31,7 @@
...
@@ -31,7 +31,7 @@
using
namespace
OpenMM
;
using
namespace
OpenMM
;
KernelImpl
*
CudaKernelFactory
::
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
ContextImpl
&
context
)
const
{
OPENMMCUDA_EXPORT
KernelImpl
*
CudaKernelFactory
::
createKernelImpl
(
std
::
string
name
,
const
Platform
&
platform
,
ContextImpl
&
context
)
const
{
CudaPlatform
::
PlatformData
&
data
=
*
static_cast
<
CudaPlatform
::
PlatformData
*>
(
context
.
getPlatformData
());
CudaPlatform
::
PlatformData
&
data
=
*
static_cast
<
CudaPlatform
::
PlatformData
*>
(
context
.
getPlatformData
());
if
(
name
==
CalcForcesAndEnergyKernel
::
Name
())
if
(
name
==
CalcForcesAndEnergyKernel
::
Name
())
return
new
CudaCalcForcesAndEnergyKernel
(
name
,
platform
,
data
);
return
new
CudaCalcForcesAndEnergyKernel
(
name
,
platform
,
data
);
...
...
platforms/cuda/src/kernels/cudaKernels.h
View file @
3f2acaf0
...
@@ -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
kCalculateObcGbsaForces2
(
gpuContext
gpu
);
extern
void
OPENMMCUDA_EXPORT
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
);
...
...
platforms/cuda/src/kernels/gputypes.h
View file @
3f2acaf0
...
@@ -273,7 +273,7 @@ extern "C"
...
@@ -273,7 +273,7 @@ extern "C"
void
OPENMMCUDA_EXPORT
gpuInitializeRandoms
(
gpuContext
gpu
);
void
OPENMMCUDA_EXPORT
gpuInitializeRandoms
(
gpuContext
gpu
);
extern
"C"
extern
"C"
void
*
gpuInit
(
int
numAtoms
,
unsigned
int
device
=
0
,
bool
useBlockingSync
=
false
);
OPENMMCUDA_EXPORT
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
);
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.cu
View file @
3f2acaf0
...
@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel()
...
@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel()
}
}
}
}
void
kReduceObcGbsaBornSum
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
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 kReduceObcGbsaBornSum(gpuContext gpu)
...
@@ -141,7 +141,7 @@ void kReduceObcGbsaBornSum(gpuContext gpu)
LAUNCHERROR
(
"kReduceObcGbsaBornSum"
);
LAUNCHERROR
(
"kReduceObcGbsaBornSum"
);
}
}
void
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
{
{
// printf("kCalculateObcgbsaBornSum\n");
// printf("kCalculateObcgbsaBornSum\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.cu
View file @
3f2acaf0
...
@@ -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
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
{
{
//printf("kCalculateObcGbsaForces2\n");
//printf("kCalculateObcGbsaForces2\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kForces.cu
View file @
3f2acaf0
...
@@ -39,7 +39,7 @@ using namespace std;
...
@@ -39,7 +39,7 @@ using namespace std;
static
__constant__
cudaGmxSimulation
cSim
;
static
__constant__
cudaGmxSimulation
cSim
;
void
SetForcesSim
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
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
kClearForces
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
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
kReduceForces
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
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
>>>
();
...
...
platforms/reference/src/SimTKUtilities/SimTKOpenMMRealType.h
View file @
3f2acaf0
...
@@ -23,7 +23,7 @@
...
@@ -23,7 +23,7 @@
*/
*/
#ifndef __RealSimTk_H_
#ifndef __RealSimTk_H_
_
#define __RealSimTk_H__
#define __RealSimTk_H__
#include <math.h>
#include <math.h>
...
...
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