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tsoc
openmm
Commits
dddc9e45
Commit
dddc9e45
authored
Oct 27, 2015
by
peastman
Browse files
Merge pull request #1217 from peastman/clcpubugs
Fixed test failures on OpenCL CPU device
parents
ea15e2ba
c95bd965
Changes
2
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2 changed files
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2 additions
and
2 deletions
+2
-2
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+1
-1
tests/TestLocalEnergyMinimizer.h
tests/TestLocalEnergyMinimizer.h
+1
-1
No files found.
platforms/opencl/src/OpenCLKernels.cpp
View file @
dddc9e45
...
@@ -3655,7 +3655,7 @@ double OpenCLCalcCustomGBForceKernel::execute(ContextImpl& context, bool include
...
@@ -3655,7 +3655,7 @@ double OpenCLCalcCustomGBForceKernel::execute(ContextImpl& context, bool include
if
(
useLong
)
{
if
(
useLong
)
{
pairEnergyKernel
.
setArg
<
cl
::
Memory
>
(
index
++
,
longEnergyDerivs
->
getDeviceBuffer
());
pairEnergyKernel
.
setArg
<
cl
::
Memory
>
(
index
++
,
longEnergyDerivs
->
getDeviceBuffer
());
for
(
int
i
=
0
;
i
<
numComputedValues
;
++
i
)
for
(
int
i
=
0
;
i
<
numComputedValues
;
++
i
)
pairEnergyKernel.setArg(index++, nb.getForceThreadBlockSize()*elementSize, NULL);
pairEnergyKernel
.
setArg
(
index
++
,
(
deviceIsCpu
?
OpenCLContext
::
TileSize
:
nb
.
getForceThreadBlockSize
()
)
*
elementSize
,
NULL
);
}
}
else
{
else
{
for
(
int
i
=
0
;
i
<
(
int
)
energyDerivs
->
getBuffers
().
size
();
i
++
)
{
for
(
int
i
=
0
;
i
<
(
int
)
energyDerivs
->
getBuffers
().
size
();
i
++
)
{
...
...
tests/TestLocalEnergyMinimizer.h
View file @
dddc9e45
...
@@ -78,7 +78,7 @@ void testLargeSystem() {
...
@@ -78,7 +78,7 @@ void testLargeSystem() {
const
int
numParticles
=
numMolecules
*
2
;
const
int
numParticles
=
numMolecules
*
2
;
const
double
cutoff
=
2.0
;
const
double
cutoff
=
2.0
;
const
double
boxSize
=
4.0
;
const
double
boxSize
=
4.0
;
const
double
tolerance
=
1
0
;
const
double
tolerance
=
1
5
;
System
system
;
System
system
;
system
.
setDefaultPeriodicBoxVectors
(
Vec3
(
boxSize
,
0
,
0
),
Vec3
(
0
,
boxSize
,
0
),
Vec3
(
0
,
0
,
boxSize
));
system
.
setDefaultPeriodicBoxVectors
(
Vec3
(
boxSize
,
0
,
0
),
Vec3
(
0
,
boxSize
,
0
),
Vec3
(
0
,
0
,
boxSize
));
NonbondedForce
*
nonbonded
=
new
NonbondedForce
();
NonbondedForce
*
nonbonded
=
new
NonbondedForce
();
...
...
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