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tsoc
openmm
Commits
c4603ad1
Unverified
Commit
c4603ad1
authored
Dec 28, 2020
by
peastman
Committed by
GitHub
Dec 28, 2020
Browse files
Fixed error with RMSDForce on GPUs without 64 bit atomics (#2963)
parent
ee037398
Changes
2
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2 changed files
with
1 addition
and
6 deletions
+1
-6
platforms/opencl/src/OpenCLContext.cpp
platforms/opencl/src/OpenCLContext.cpp
+1
-2
platforms/opencl/src/kernels/utilities.cl
platforms/opencl/src/kernels/utilities.cl
+0
-4
No files found.
platforms/opencl/src/OpenCLContext.cpp
View file @
c4603ad1
...
@@ -519,7 +519,6 @@ void OpenCLContext::initialize() {
...
@@ -519,7 +519,6 @@ void OpenCLContext::initialize() {
reduceForcesKernel
.
setArg
<
cl
::
Buffer
>
(
1
,
forceBuffers
.
getDeviceBuffer
());
reduceForcesKernel
.
setArg
<
cl
::
Buffer
>
(
1
,
forceBuffers
.
getDeviceBuffer
());
reduceForcesKernel
.
setArg
<
cl_int
>
(
2
,
paddedNumAtoms
);
reduceForcesKernel
.
setArg
<
cl_int
>
(
2
,
paddedNumAtoms
);
reduceForcesKernel
.
setArg
<
cl_int
>
(
3
,
numForceBuffers
);
reduceForcesKernel
.
setArg
<
cl_int
>
(
3
,
numForceBuffers
);
if
(
supports64BitGlobalAtomics
)
addAutoclearBuffer
(
longForceBuffer
);
addAutoclearBuffer
(
longForceBuffer
);
addAutoclearBuffer
(
forceBuffers
);
addAutoclearBuffer
(
forceBuffers
);
addAutoclearBuffer
(
energyBuffer
);
addAutoclearBuffer
(
energyBuffer
);
...
...
platforms/opencl/src/kernels/utilities.cl
View file @
c4603ad1
...
@@ -88,11 +88,7 @@ __kernel void reduceForces(__global long* restrict longBuffer, __global real4* r
...
@@ -88,11 +88,7 @@ __kernel void reduceForces(__global long* restrict longBuffer, __global real4* r
int
totalSize
=
bufferSize*numBuffers
;
int
totalSize
=
bufferSize*numBuffers
;
real
scale
=
1/
(
real
)
0x100000000
;
real
scale
=
1/
(
real
)
0x100000000
;
for
(
int
index
=
get_global_id
(
0
)
; index < bufferSize; index += get_global_size(0)) {
for
(
int
index
=
get_global_id
(
0
)
; index < bufferSize; index += get_global_size(0)) {
#
ifdef
SUPPORTS_64_BIT_ATOMICS
real4
sum
=
(
real4
)
(
scale*longBuffer[index],
scale*longBuffer[index+bufferSize],
scale*longBuffer[index+2*bufferSize],
0
)
;
real4
sum
=
(
real4
)
(
scale*longBuffer[index],
scale*longBuffer[index+bufferSize],
scale*longBuffer[index+2*bufferSize],
0
)
;
#
else
real4
sum
=
(
real4
)
0
;
#
endif
for
(
int
i
=
index
; i < totalSize; i += bufferSize)
for
(
int
i
=
index
; i < totalSize; i += bufferSize)
sum
+=
buffer[i]
;
sum
+=
buffer[i]
;
buffer[index]
=
sum
;
buffer[index]
=
sum
;
...
...
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