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tsoc
openmm
Commits
8a76aa72
Commit
8a76aa72
authored
Sep 10, 2015
by
peastman
Browse files
Merge pull request #1131 from peastman/cudabug
Workaround for bug in CUDA 7.5
parents
be1aaffd
9a7d1e0d
Changes
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plugins/amoeba/platforms/cuda/src/kernels/multipoleFixedField.cu
.../amoeba/platforms/cuda/src/kernels/multipoleFixedField.cu
+6
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plugins/amoeba/platforms/cuda/src/kernels/multipoleFixedField.cu
View file @
8a76aa72
...
@@ -545,6 +545,9 @@ extern "C" __global__ void computeFixedField(
...
@@ -545,6 +545,9 @@ extern "C" __global__ void computeFixedField(
localData
[
tbx
+
tj
].
field
+=
fields
[
2
];
localData
[
tbx
+
tj
].
field
+=
fields
[
2
];
localData
[
tbx
+
tj
].
fieldPolar
+=
fields
[
3
];
localData
[
tbx
+
tj
].
fieldPolar
+=
fields
[
3
];
#ifdef USE_GK
#ifdef USE_GK
}
if
(
atom1
<
NUM_ATOMS
&&
atom2
<
NUM_ATOMS
)
{
real3
fields
[
2
];
computeOneGkInteraction
(
data
,
localData
[
tbx
+
tj
],
delta
,
fields
);
computeOneGkInteraction
(
data
,
localData
[
tbx
+
tj
],
delta
,
fields
);
data
.
gkField
+=
fields
[
0
];
data
.
gkField
+=
fields
[
0
];
localData
[
tbx
+
tj
].
gkField
+=
fields
[
1
];
localData
[
tbx
+
tj
].
gkField
+=
fields
[
1
];
...
@@ -684,6 +687,9 @@ extern "C" __global__ void computeFixedField(
...
@@ -684,6 +687,9 @@ extern "C" __global__ void computeFixedField(
localData
[
tbx
+
tj
].
field
+=
fields
[
2
];
localData
[
tbx
+
tj
].
field
+=
fields
[
2
];
localData
[
tbx
+
tj
].
fieldPolar
+=
fields
[
3
];
localData
[
tbx
+
tj
].
fieldPolar
+=
fields
[
3
];
#ifdef USE_GK
#ifdef USE_GK
}
if
(
atom1
<
NUM_ATOMS
&&
atom2
<
NUM_ATOMS
)
{
real3
fields
[
2
];
computeOneGkInteraction
(
data
,
localData
[
tbx
+
tj
],
delta
,
fields
);
computeOneGkInteraction
(
data
,
localData
[
tbx
+
tj
],
delta
,
fields
);
data
.
gkField
+=
fields
[
0
];
data
.
gkField
+=
fields
[
0
];
localData
[
tbx
+
tj
].
gkField
+=
fields
[
1
];
localData
[
tbx
+
tj
].
gkField
+=
fields
[
1
];
...
...
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