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tsoc
openmm
Commits
e09764b5
Commit
e09764b5
authored
Nov 11, 2009
by
Mark Friedrichs
Browse files
Remove doubling of nonbonded buffers for OBC & GB/VI
parent
29fa0870
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platforms/cuda/src/kernels/gpu.cpp
platforms/cuda/src/kernels/gpu.cpp
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platforms/cuda/src/kernels/gpu.cpp
View file @
e09764b5
...
@@ -2010,7 +2010,6 @@ int gpuBuildOutputBuffers(gpuContext gpu)
...
@@ -2010,7 +2010,6 @@ int gpuBuildOutputBuffers(gpuContext gpu)
gpu
->
sim
.
nonbondOutputBuffers
=
gpu
->
sim
.
paddedNumberOfAtoms
/
GRID
;
gpu
->
sim
.
nonbondOutputBuffers
=
gpu
->
sim
.
paddedNumberOfAtoms
/
GRID
;
}
}
gpu
->
sim
.
totalNonbondOutputBuffers
=
(
(
gpu
->
bIncludeGBSA
||
gpu
->
bIncludeGBVI
)
?
2
*
gpu
->
sim
.
nonbondOutputBuffers
:
gpu
->
sim
.
nonbondOutputBuffers
);
gpu
->
sim
.
totalNonbondOutputBuffers
=
(
(
gpu
->
bIncludeGBSA
||
gpu
->
bIncludeGBVI
)
?
2
*
gpu
->
sim
.
nonbondOutputBuffers
:
gpu
->
sim
.
nonbondOutputBuffers
);
//gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;
gpu
->
sim
.
outputBuffers
=
gpu
->
sim
.
totalNonbondOutputBuffers
;
gpu
->
sim
.
outputBuffers
=
gpu
->
sim
.
totalNonbondOutputBuffers
;
unsigned
int
outputBuffers
=
gpu
->
sim
.
totalNonbondOutputBuffers
;
unsigned
int
outputBuffers
=
gpu
->
sim
.
totalNonbondOutputBuffers
;
...
...
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