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tsoc
openmm
Commits
16f10eff
Commit
16f10eff
authored
Apr 10, 2026
by
one
Browse files
tune computeNonbonded launch params
parent
9c6732f0
Changes
1
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4 additions
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5 deletions
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-5
platforms/hip/src/HipNonbondedUtilities.cpp
platforms/hip/src/HipNonbondedUtilities.cpp
+4
-5
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platforms/hip/src/HipNonbondedUtilities.cpp
View file @
16f10eff
...
...
@@ -65,16 +65,15 @@ HipNonbondedUtilities::HipNonbondedUtilities(HipContext& context) : context(cont
string
errorMessage
=
"Error initializing nonbonded utilities"
;
CHECK_RESULT
(
hipEventCreateWithFlags
(
&
downloadCountEvent
,
context
.
getEventFlags
()));
CHECK_RESULT
(
hipHostMalloc
((
void
**
)
&
pinnedCountBuffer
,
2
*
sizeof
(
unsigned
int
),
context
.
getHostMallocFlags
()));
numForceThreadBlocks
=
5
*
4
*
context
.
getMultiprocessors
();
forceThreadBlockSize
=
6
4
;
findInteractingBlocksThreadBlockSize
=
context
.
getSIMDWidth
()
;
numForceThreadBlocks
=
16
*
4
*
context
.
getMultiprocessors
();
forceThreadBlockSize
=
25
6
;
findInteractingBlocksThreadBlockSize
=
128
;
// When building the neighbor list, we can optionally use large blocks (32 * warpSize atoms) to
// accelerate the process. This makes building the neighbor list faster, but it prevents
// us from sorting atom blocks by size, which leads to a slightly less efficient neighbor
// list. We guess based on system size which will be faster.
useLargeBlocks
=
(
context
.
getNumAtoms
()
>
90000
);
useLargeBlocks
=
false
;
setKernelSource
(
HipKernelSources
::
nonbonded
);
}
...
...
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