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tsoc
openmm
Commits
29b1d430
Commit
29b1d430
authored
Nov 30, 2016
by
peastman
Committed by
GitHub
Nov 30, 2016
Browse files
Merge pull request #1680 from peastman/disablepairlist
Disable fine-grained pair list
parents
bbd06b16
b7d91a8e
Changes
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1 changed file
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1 deletion
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-1
platforms/cuda/src/CudaNonbondedUtilities.cpp
platforms/cuda/src/CudaNonbondedUtilities.cpp
+2
-1
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platforms/cuda/src/CudaNonbondedUtilities.cpp
View file @
29b1d430
...
...
@@ -514,7 +514,8 @@ void CudaNonbondedUtilities::createKernelsForGroups(int groups) {
if
(
usePeriodic
)
defines
[
"USE_PERIODIC"
]
=
"1"
;
defines
[
"MAX_EXCLUSIONS"
]
=
context
.
intToString
(
maxExclusions
);
defines
[
"MAX_BITS_FOR_PAIRS"
]
=
(
canUsePairList
?
"2"
:
"0"
);
// Temporarily disable the pair list until we figure out why it's failing on some GPUs.
defines
[
"MAX_BITS_FOR_PAIRS"
]
=
"0"
;
//(canUsePairList ? "2" : "0");
CUmodule
interactingBlocksProgram
=
context
.
createModule
(
CudaKernelSources
::
vectorOps
+
CudaKernelSources
::
findInteractingBlocks
,
defines
);
kernels
.
findBlockBoundsKernel
=
context
.
getKernel
(
interactingBlocksProgram
,
"findBlockBounds"
);
kernels
.
sortBoxDataKernel
=
context
.
getKernel
(
interactingBlocksProgram
,
"sortBoxData"
);
...
...
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