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tsoc
openmm
Commits
46f62eb2
Commit
46f62eb2
authored
Jan 19, 2016
by
jchodera
Browse files
Merge remote-tracking branch 'upstream/master' into fix-ionic-strength
parents
d5fa8d74
6b3a8337
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1
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
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platforms/cuda/src/CudaKernels.cpp
View file @
46f62eb2
...
@@ -1710,8 +1710,6 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
...
@@ -1710,8 +1710,6 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
result
=
cufftPlan3d
(
&
fftBackward
,
gridSizeX
,
gridSizeY
,
gridSizeZ
,
cu
.
getUseDoublePrecision
()
?
CUFFT_Z2D
:
CUFFT_C2R
);
result
=
cufftPlan3d
(
&
fftBackward
,
gridSizeX
,
gridSizeY
,
gridSizeZ
,
cu
.
getUseDoublePrecision
()
?
CUFFT_Z2D
:
CUFFT_C2R
);
if
(
result
!=
CUFFT_SUCCESS
)
if
(
result
!=
CUFFT_SUCCESS
)
throw
OpenMMException
(
"Error initializing FFT: "
+
cu
.
intToString
(
result
));
throw
OpenMMException
(
"Error initializing FFT: "
+
cu
.
intToString
(
result
));
cufftSetCompatibilityMode
(
fftForward
,
CUFFT_COMPATIBILITY_NATIVE
);
cufftSetCompatibilityMode
(
fftBackward
,
CUFFT_COMPATIBILITY_NATIVE
);
}
}
else
else
fft
=
new
CudaFFT3D
(
cu
,
gridSizeX
,
gridSizeY
,
gridSizeZ
,
true
);
fft
=
new
CudaFFT3D
(
cu
,
gridSizeX
,
gridSizeY
,
gridSizeZ
,
true
);
...
...
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