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tsoc
openmm
Commits
cd5029c2
Unverified
Commit
cd5029c2
authored
Dec 11, 2022
by
Peter Eastman
Committed by
GitHub
Dec 11, 2022
Browse files
Fixed kernel compilation error on Mac (#3866)
parent
c2388a17
Changes
2
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2 changed files
with
2 additions
and
2 deletions
+2
-2
plugins/amoeba/platforms/common/src/kernels/amoebaVdwForce1.cc
...ns/amoeba/platforms/common/src/kernels/amoebaVdwForce1.cc
+1
-1
plugins/amoeba/platforms/common/src/kernels/multipoles.cc
plugins/amoeba/platforms/common/src/kernels/multipoles.cc
+1
-1
No files found.
plugins/amoeba/platforms/common/src/kernels/amoebaVdwForce1.cc
View file @
cd5029c2
...
@@ -27,7 +27,7 @@ KERNEL void spreadForces(GLOBAL const mm_ulong* RESTRICT forceBuffers, GLOBAL mm
...
@@ -27,7 +27,7 @@ KERNEL void spreadForces(GLOBAL const mm_ulong* RESTRICT forceBuffers, GLOBAL mm
mm_long
fy1
=
forceBuffers
[
atom1
+
PADDED_NUM_ATOMS
];
mm_long
fy1
=
forceBuffers
[
atom1
+
PADDED_NUM_ATOMS
];
mm_long
fz1
=
forceBuffers
[
atom1
+
PADDED_NUM_ATOMS
*
2
];
mm_long
fz1
=
forceBuffers
[
atom1
+
PADDED_NUM_ATOMS
*
2
];
if
(
atom1
!=
atom2
)
{
if
(
atom1
!=
atom2
)
{
double
factor
=
(
double
)
bondReductionFactors
[
atom1
];
real
factor
=
(
real
)
bondReductionFactors
[
atom1
];
mm_long
fx2
=
(
mm_long
)
((
1
-
factor
)
*
fx1
);
mm_long
fx2
=
(
mm_long
)
((
1
-
factor
)
*
fx1
);
mm_long
fy2
=
(
mm_long
)
((
1
-
factor
)
*
fy1
);
mm_long
fy2
=
(
mm_long
)
((
1
-
factor
)
*
fy1
);
mm_long
fz2
=
(
mm_long
)
((
1
-
factor
)
*
fz1
);
mm_long
fz2
=
(
mm_long
)
((
1
-
factor
)
*
fz1
);
...
...
plugins/amoeba/platforms/common/src/kernels/multipoles.cc
View file @
cd5029c2
...
@@ -345,7 +345,7 @@ KERNEL void mapTorqueToForce(GLOBAL mm_ulong* RESTRICT forceBuffers, GLOBAL cons
...
@@ -345,7 +345,7 @@ KERNEL void mapTorqueToForce(GLOBAL mm_ulong* RESTRICT forceBuffers, GLOBAL cons
const
int
Z
=
2
;
const
int
Z
=
2
;
const
int
I
=
3
;
const
int
I
=
3
;
const
real
torqueScale
=
RECIP
((
double
)
0x100000000
);
const
real
torqueScale
=
RECIP
((
real
)
0x100000000
);
real3
forces
[
4
];
real3
forces
[
4
];
real
norms
[
12
];
real
norms
[
12
];
...
...
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