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tsoc
openmm
Commits
f0454a4b
Commit
f0454a4b
authored
Jun 23, 2012
by
Peter Eastman
Browse files
Fixed errors under Intel OpenCL
parent
387008ce
Changes
4
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4 changed files
with
8 additions
and
5 deletions
+8
-5
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+1
-1
platforms/opencl/src/OpenCLNonbondedUtilities.cpp
platforms/opencl/src/OpenCLNonbondedUtilities.cpp
+5
-3
platforms/opencl/src/kernels/customHbondForce.cl
platforms/opencl/src/kernels/customHbondForce.cl
+1
-1
platforms/opencl/src/kernels/sort.cl
platforms/opencl/src/kernels/sort.cl
+1
-0
No files found.
platforms/opencl/src/OpenCLKernels.cpp
View file @
f0454a4b
...
...
@@ -3517,7 +3517,7 @@ void OpenCLCalcCustomHbondForceKernel::initialize(const System& system, const Cu
defines
[
"PADDED_NUM_ATOMS"
]
=
intToString
(
cl
.
getPaddedNumAtoms
());
defines
[
"NUM_DONORS"
]
=
intToString
(
numDonors
);
defines
[
"NUM_ACCEPTORS"
]
=
intToString
(
numAcceptors
);
defines
[
"
M_
PI"
]
=
doubleToString
(
M_PI
);
defines
[
"PI"
]
=
doubleToString
(
M_PI
);
if
(
force
.
getNonbondedMethod
()
!=
CustomHbondForce
::
NoCutoff
)
{
defines
[
"USE_CUTOFF"
]
=
"1"
;
defines
[
"CUTOFF_SQUARED"
]
=
doubleToString
(
force
.
getCutoffDistance
()
*
force
.
getCutoffDistance
());
...
...
platforms/opencl/src/OpenCLNonbondedUtilities.cpp
View file @
f0454a4b
...
...
@@ -375,10 +375,12 @@ void OpenCLNonbondedUtilities::updateNeighborListSize() {
interactionFlags
=
new
OpenCLArray
<
cl_uint
>
(
context
,
deviceIsCpu
?
2
*
newSize
:
newSize
,
"interactionFlags"
);
forceKernel
.
setArg
<
cl
::
Buffer
>
(
13
,
interactionFlags
->
getDeviceBuffer
());
findInteractingBlocksKernel
.
setArg
<
cl
::
Buffer
>
(
7
,
interactionFlags
->
getDeviceBuffer
());
if
(
!
deviceIsCpu
)
{
findInteractionsWithinBlocksKernel
.
setArg
<
cl
::
Buffer
>
(
4
,
interactingTiles
->
getDeviceBuffer
());
findInteractionsWithinBlocksKernel
.
setArg
<
cl
::
Buffer
>
(
7
,
interactionFlags
->
getDeviceBuffer
());
findInteractionsWithinBlocksKernel
.
setArg
<
cl_uint
>
(
10
,
newSize
);
}
}
}
void
OpenCLNonbondedUtilities
::
setTileRange
(
int
startTileIndex
,
int
numTiles
)
{
...
...
platforms/opencl/src/kernels/customHbondForce.cl
View file @
f0454a4b
...
...
@@ -36,7 +36,7 @@ float computeAngle(float4 vec1, float4 vec2) {
float scale = vec1.w*vec2.w;
angle = asin(SQRT(dot(crossProduct, crossProduct)/scale));
if (cosine < 0.0f)
angle =
M_
PI-angle;
angle = PI-angle;
}
else
angle = acos(cosine);
...
...
platforms/opencl/src/kernels/sort.cl
View file @
f0454a4b
...
...
@@ -30,6 +30,7 @@ __kernel void computeRange(__global const DATA_TYPE* restrict data, uint length,
barrier
(
CLK_LOCAL_MEM_FENCE
)
;
}
minimum
=
buffer[0]
;
barrier
(
CLK_LOCAL_MEM_FENCE
)
;
buffer[get_local_id
(
0
)
]
=
maximum
;
barrier
(
CLK_LOCAL_MEM_FENCE
)
;
for
(
uint
step
=
1
; step < get_local_size(0); step *= 2) {
...
...
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