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tsoc
openmm
Commits
ddd7307d
Commit
ddd7307d
authored
Aug 09, 2016
by
Peter Eastman
Browse files
Fixed compilation error in mixed precision mode
parent
24b68822
Changes
2
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2 changed files
with
2 additions
and
2 deletions
+2
-2
platforms/cuda/src/kernels/gayBerne.cu
platforms/cuda/src/kernels/gayBerne.cu
+1
-1
platforms/opencl/src/kernels/gayBerne.cl
platforms/opencl/src/kernels/gayBerne.cl
+1
-1
No files found.
platforms/cuda/src/kernels/gayBerne.cu
View file @
ddd7307d
...
...
@@ -234,7 +234,7 @@ inline __device__ void matrixInverse(real (*result)[3], real (*m)[3]) {
result
[
2
][
2
]
=
invDet
*
(
m
[
0
][
0
]
*
m
[
1
][
1
]
-
m
[
0
][
1
]
*
m
[
1
][
0
]);
}
__device__
void
computeOneInteraction
(
AtomData
*
data1
,
AtomData
*
data2
,
real
sigma
,
real
epsilon
,
real3
dr
,
real
r2
,
real3
*
force1
,
real3
*
force2
,
real3
*
torque1
,
real3
*
torque2
,
real
*
totalEnergy
)
{
__device__
void
computeOneInteraction
(
AtomData
*
data1
,
AtomData
*
data2
,
real
sigma
,
real
epsilon
,
real3
dr
,
real
r2
,
real3
*
force1
,
real3
*
force2
,
real3
*
torque1
,
real3
*
torque2
,
mixed
*
totalEnergy
)
{
real
rInv
=
RSQRT
(
r2
);
real
r
=
r2
*
rInv
;
real3
drUnit
=
dr
*
rInv
;
...
...
platforms/opencl/src/kernels/gayBerne.cl
View file @
ddd7307d
...
...
@@ -239,7 +239,7 @@ void matrixInverse(real (*result)[3], real (*m)[3]) {
result[2][2]
=
invDet*
(
m[0][0]*m[1][1]
-
m[0][1]*m[1][0]
)
;
}
void
computeOneInteraction
(
AtomData*
data1,
AtomData*
data2,
real
sigma,
real
epsilon,
real3
dr,
real
r2,
real3*
force1,
real3*
force2,
real3*
torque1,
real3*
torque2,
real
*totalEnergy
)
{
void
computeOneInteraction
(
AtomData*
data1,
AtomData*
data2,
real
sigma,
real
epsilon,
real3
dr,
real
r2,
real3*
force1,
real3*
force2,
real3*
torque1,
real3*
torque2,
mixed
*totalEnergy
)
{
real
rInv
=
RSQRT
(
r2
)
;
real
r
=
r2*rInv
;
real3
drUnit
=
dr*rInv
;
...
...
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