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tsoc
openmm
Commits
06a98e93
Commit
06a98e93
authored
Oct 09, 2010
by
Peter Eastman
Browse files
Continuing efforts to fix compilation errors under Windows
parent
b8e12104
Changes
6
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6 changed files
with
21 additions
and
17 deletions
+21
-17
platforms/cuda/src/CudaForceInfo.h
platforms/cuda/src/CudaForceInfo.h
+7
-5
platforms/cuda/src/kernels/cudaCompact.cu
platforms/cuda/src/kernels/cudaCompact.cu
+3
-3
platforms/cuda/src/kernels/cudaCompact.h
platforms/cuda/src/kernels/cudaCompact.h
+5
-3
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
No files found.
platforms/cuda/src/CudaForceInfo.h
View file @
06a98e93
...
...
@@ -37,26 +37,28 @@ namespace OpenMM {
* about the behavior and requirements of that force.
*/
class
OPENMM_EXPORT
CudaForceInfo
{
class
CudaForceInfo
{
public:
CudaForceInfo
()
{
}
virtual
~
CudaForceInfo
()
{
}
/**
* Get whether or not two particles have identical force field parameters.
*/
virtual
bool
areParticlesIdentical
(
int
particle1
,
int
particle2
);
virtual
OPENMM_EXPORT
bool
areParticlesIdentical
(
int
particle1
,
int
particle2
);
/**
* Get the number of particle groups defined by this force.
*/
virtual
int
getNumParticleGroups
();
virtual
OPENMM_EXPORT
int
getNumParticleGroups
();
/**
* Get the list of particles in a particular group.
*/
virtual
void
getParticlesInGroup
(
int
index
,
std
::
vector
<
int
>&
particles
);
virtual
OPENMM_EXPORT
void
getParticlesInGroup
(
int
index
,
std
::
vector
<
int
>&
particles
);
/**
* Get whether two particle groups are identical.
*/
virtual
bool
areGroupsIdentical
(
int
group1
,
int
group2
);
virtual
OPENMM_EXPORT
bool
areGroupsIdentical
(
int
group1
,
int
group2
);
};
}
// namespace OpenMM
...
...
platforms/cuda/src/kernels/cudaCompact.cu
View file @
06a98e93
...
...
@@ -183,7 +183,7 @@ __global__ void moveValidElementsScattered(const T* dgData,T* dgCompact,const un
}
}
void
planCompaction
(
compactionPlan
&
d
,
bool
stageOutput
)
{
void
OPENMMCUDA_EXPORT
planCompaction
(
compactionPlan
&
d
,
bool
stageOutput
)
{
int
device
;
cudaGetDevice
(
&
device
);
cudaDeviceProp
deviceProp
;
...
...
@@ -195,11 +195,11 @@ void planCompaction(compactionPlan& d,bool stageOutput) {
d
.
valid
=
true
;
}
void
destroyCompactionPlan
(
compactionPlan
&
d
)
{
void
OPENMMCUDA_EXPORT
destroyCompactionPlan
(
compactionPlan
&
d
)
{
if
(
d
.
valid
)
cudaFree
(
d
.
dgBlockCounts
);
}
int
compactStream
(
const
compactionPlan
&
d
,
T
*
dOut
,
const
T
*
dIn
,
const
unsigned
int
*
dValid
,
size_t
len
,
size_t
*
dNumValid
)
{
int
OPENMMCUDA_EXPORT
compactStream
(
const
compactionPlan
&
d
,
T
*
dOut
,
const
T
*
dIn
,
const
unsigned
int
*
dValid
,
size_t
len
,
size_t
*
dNumValid
)
{
if
(
!
d
.
valid
)
{
return
-
1
;
}
...
...
platforms/cuda/src/kernels/cudaCompact.h
View file @
06a98e93
...
...
@@ -25,6 +25,8 @@
License: Public Domain
*/
#include "windowsExportCuda.h"
struct
compactionPlan
{
bool
valid
;
unsigned
int
*
dgBlockCounts
;
...
...
@@ -33,12 +35,12 @@ struct compactionPlan {
};
extern
"C"
void
planCompaction
(
compactionPlan
&
d
,
bool
stageOutput
=
true
);
void
OPENMMCUDA_EXPORT
planCompaction
(
compactionPlan
&
d
,
bool
stageOutput
=
true
);
extern
"C"
void
destroyCompactionPlan
(
compactionPlan
&
d
);
void
OPENMMCUDA_EXPORT
destroyCompactionPlan
(
compactionPlan
&
d
);
extern
"C"
int
compactStream
(
const
compactionPlan
&
d
,
unsigned
int
*
dOut
,
const
unsigned
int
*
dIn
,
const
unsigned
int
*
dValid
,
size_t
len
,
size_t
*
dNumValid
);
int
OPENMMCUDA_EXPORT
compactStream
(
const
compactionPlan
&
d
,
unsigned
int
*
dOut
,
const
unsigned
int
*
dIn
,
const
unsigned
int
*
dValid
,
size_t
len
,
size_t
*
dNumValid
);
#endif // __OPENMM_CUDACOMPACT_H__
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.cu
View file @
06a98e93
...
...
@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel()
}
}
void
kReduceObcGbsaBornSum
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kReduceObcGbsaBornSum
(
gpuContext
gpu
)
{
// printf("kReduceObcGbsaBornSum\n");
kReduceObcGbsaBornSum_kernel
<<<
gpu
->
sim
.
blocks
,
384
>>>
();
...
...
@@ -141,7 +141,7 @@ void kReduceObcGbsaBornSum(gpuContext gpu)
LAUNCHERROR
(
"kReduceObcGbsaBornSum"
);
}
void
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
{
// printf("kCalculateObcgbsaBornSum\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.cu
View file @
06a98e93
...
...
@@ -99,7 +99,7 @@ void GetCalculateObcGbsaForces2Sim(gpuContext gpu)
#define METHOD_NAME(a, b) a##PeriodicByWarp##b
#include "kCalculateObcGbsaForces2.h"
void
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
{
//printf("kCalculateObcGbsaForces2\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kForces.cu
View file @
06a98e93
...
...
@@ -39,7 +39,7 @@ using namespace std;
static
__constant__
cudaGmxSimulation
cSim
;
void
SetForcesSim
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
SetForcesSim
(
gpuContext
gpu
)
{
cudaError_t
status
;
status
=
cudaMemcpyToSymbol
(
cSim
,
&
gpu
->
sim
,
sizeof
(
cudaGmxSimulation
));
...
...
@@ -65,7 +65,7 @@ void kClearForces_kernel()
}
}
void
kClearForces
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kClearForces
(
gpuContext
gpu
)
{
// printf("kClearForces\n");
kClearForces_kernel
<<<
gpu
->
sim
.
blocks
,
384
>>>
();
...
...
@@ -279,7 +279,7 @@ void kReduceForces_kernel()
}
}
void
kReduceForces
(
gpuContext
gpu
)
void
OPENMMCUDA_EXPORT
kReduceForces
(
gpuContext
gpu
)
{
// printf("kReduceForces\n");
kReduceForces_kernel
<<<
gpu
->
sim
.
blocks
,
gpu
->
sim
.
bsf_reduce_threads_per_block
>>>
();
...
...
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