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tsoc
openmm
Commits
ea3c4747
Commit
ea3c4747
authored
Dec 01, 2016
by
Peter Eastman
Browse files
Fixed error compiling kernel
parent
37a87d8a
Changes
2
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2 changed files
with
4 additions
and
4 deletions
+4
-4
platforms/cuda/src/kernels/langevin.cu
platforms/cuda/src/kernels/langevin.cu
+2
-2
platforms/opencl/src/kernels/langevin.cl
platforms/opencl/src/kernels/langevin.cl
+2
-2
No files found.
platforms/cuda/src/kernels/langevin.cu
View file @
ea3c4747
...
@@ -119,9 +119,9 @@ extern "C" __global__ void selectLangevinStepSize(int numAtoms, int paddedNumAto
...
@@ -119,9 +119,9 @@ extern "C" __global__ void selectLangevinStepSize(int numAtoms, int paddedNumAto
// Recalculate the integration parameters.
// Recalculate the integration parameters.
mixed
vscale
=
EXP
(
-
newStepSize
*
friction
);
mixed
vscale
=
exp
(
-
newStepSize
*
friction
);
mixed
fscale
=
(
friction
==
0
?
newStepSize
:
(
1
-
vscale
)
/
friction
);
mixed
fscale
=
(
friction
==
0
?
newStepSize
:
(
1
-
vscale
)
/
friction
);
mixed
noisescale
=
SQRT
(
kT
*
(
1
-
vscale
*
vscale
));
mixed
noisescale
=
sqrt
(
kT
*
(
1
-
vscale
*
vscale
));
params
[
VelScale
]
=
vscale
;
params
[
VelScale
]
=
vscale
;
params
[
ForceScale
]
=
fscale
;
params
[
ForceScale
]
=
fscale
;
params
[
NoiseScale
]
=
noisescale
;
params
[
NoiseScale
]
=
noisescale
;
...
...
platforms/opencl/src/kernels/langevin.cl
View file @
ea3c4747
...
@@ -110,9 +110,9 @@ __kernel void selectLangevinStepSize(mixed maxStepSize, mixed errorTol, mixed fr
...
@@ -110,9 +110,9 @@ __kernel void selectLangevinStepSize(mixed maxStepSize, mixed errorTol, mixed fr
//
Recalculate
the
integration
parameters.
//
Recalculate
the
integration
parameters.
mixed
vscale
=
EXP
(
-newStepSize*friction
)
;
mixed
vscale
=
exp
(
-newStepSize*friction
)
;
mixed
fscale
=
(
friction
==
0
?
newStepSize
:
(
1-vscale
)
/friction
)
;
mixed
fscale
=
(
friction
==
0
?
newStepSize
:
(
1-vscale
)
/friction
)
;
mixed
noisescale
=
SQRT
(
kT*
(
1-vscale*vscale
))
;
mixed
noisescale
=
sqrt
(
kT*
(
1-vscale*vscale
))
;
params[VelScale]
=
vscale
;
params[VelScale]
=
vscale
;
params[ForceScale]
=
fscale
;
params[ForceScale]
=
fscale
;
params[NoiseScale]
=
noisescale
;
params[NoiseScale]
=
noisescale
;
...
...
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