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tsoc
openmm
Commits
4130dac8
Commit
4130dac8
authored
May 21, 2010
by
Mark Friedrichs
Browse files
Fix to inadvertent checkin
parent
62cf5c93
Changes
6
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6 changed files
with
9 additions
and
10 deletions
+9
-10
platforms/cuda/src/kernels/cudaKernels.h
platforms/cuda/src/kernels/cudaKernels.h
+1
-1
platforms/cuda/src/kernels/gpu.cpp
platforms/cuda/src/kernels/gpu.cpp
+1
-2
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
No files found.
platforms/cuda/src/kernels/cudaKernels.h
View file @
4130dac8
...
...
@@ -48,7 +48,7 @@ extern void kCalculateCustomTorsionForces(gpuContext gpu);
extern
void
kCalculateCustomExternalForces
(
gpuContext
gpu
);
extern
void
kCalculateCustomNonbondedForces
(
gpuContext
gpu
,
bool
neighborListValid
);
extern
void
kReduceObcGbsaBornForces
(
gpuContext
gpu
);
extern
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaForces2
(
gpuContext
gpu
);
extern
void
kCalculateObcGbsaForces2
(
gpuContext
gpu
);
extern
void
kCalculateGBVIForces2
(
gpuContext
gpu
);
extern
void
kCalculateLocalForces
(
gpuContext
gpu
);
extern
void
kCalculateAndersenThermostat
(
gpuContext
gpu
);
...
...
platforms/cuda/src/kernels/gpu.cpp
View file @
4130dac8
...
...
@@ -58,7 +58,6 @@ using namespace std;
// make sure that erf() and erfc() are defined.
#include "openmm/internal/MSVC_erfc.h"
#include "openmm/internal/windowsExport.h"
#include "windowsExportCuda.h"
using
OpenMM
::
OpenMMException
;
using
Lepton
::
Operation
;
...
...
@@ -1789,7 +1788,7 @@ bool gpuIsAvailable()
}
extern
"C"
void
*
gpuInit
(
int
numAtoms
,
unsigned
int
device
,
bool
useBlockingSync
)
void
*
gpuInit
(
int
numAtoms
,
unsigned
int
device
,
bool
useBlockingSync
)
{
gpuContext
gpu
=
new
_gpuContext
;
int
LRFSize
=
0
;
...
...
platforms/cuda/src/kernels/gputypes.h
View file @
4130dac8
...
...
@@ -272,7 +272,7 @@ extern "C"
void
OPENMMCUDA_EXPORT
gpuInitializeRandoms
(
gpuContext
gpu
);
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"
void
gpuSetLangevinIntegrationParameters
(
gpuContext
gpu
,
float
tau
,
float
deltaT
,
float
temperature
,
float
errorTol
);
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.cu
View file @
4130dac8
...
...
@@ -133,7 +133,7 @@ void kReduceObcGbsaBornSum_kernel()
}
}
void
OPENMMCUDA_EXPORT
kReduceObcGbsaBornSum
(
gpuContext
gpu
)
void
kReduceObcGbsaBornSum
(
gpuContext
gpu
)
{
// printf("kReduceObcGbsaBornSum\n");
kReduceObcGbsaBornSum_kernel
<<<
gpu
->
sim
.
blocks
,
384
>>>
();
...
...
@@ -141,7 +141,7 @@ void OPENMMCUDA_EXPORT kReduceObcGbsaBornSum(gpuContext gpu)
LAUNCHERROR
(
"kReduceObcGbsaBornSum"
);
}
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
void
kCalculateObcGbsaBornSum
(
gpuContext
gpu
)
{
// printf("kCalculateObcgbsaBornSum\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.cu
View file @
4130dac8
...
...
@@ -99,7 +99,7 @@ void GetCalculateObcGbsaForces2Sim(gpuContext gpu)
#define METHOD_NAME(a, b) a##PeriodicByWarp##b
#include "kCalculateObcGbsaForces2.h"
void
OPENMMCUDA_EXPORT
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
void
kCalculateObcGbsaForces2
(
gpuContext
gpu
)
{
//printf("kCalculateObcGbsaForces2\n");
switch
(
gpu
->
sim
.
nonbondedMethod
)
...
...
platforms/cuda/src/kernels/kForces.cu
View file @
4130dac8
...
...
@@ -39,7 +39,7 @@ using namespace std;
static
__constant__
cudaGmxSimulation
cSim
;
void
OPENMMCUDA_EXPORT
SetForcesSim
(
gpuContext
gpu
)
void
SetForcesSim
(
gpuContext
gpu
)
{
cudaError_t
status
;
status
=
cudaMemcpyToSymbol
(
cSim
,
&
gpu
->
sim
,
sizeof
(
cudaGmxSimulation
));
...
...
@@ -65,7 +65,7 @@ void kClearForces_kernel()
}
}
void
OPENMMCUDA_EXPORT
kClearForces
(
gpuContext
gpu
)
void
kClearForces
(
gpuContext
gpu
)
{
// printf("kClearForces\n");
kClearForces_kernel
<<<
gpu
->
sim
.
blocks
,
384
>>>
();
...
...
@@ -279,7 +279,7 @@ void kReduceForces_kernel()
}
}
void
OPENMMCUDA_EXPORT
kReduceForces
(
gpuContext
gpu
)
void
kReduceForces
(
gpuContext
gpu
)
{
// printf("kReduceForces\n");
kReduceForces_kernel
<<<
gpu
->
sim
.
blocks
,
gpu
->
sim
.
bsf_reduce_threads_per_block
>>>
();
...
...
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