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tsoc
openmm
Commits
906a0473
"platforms/cpu/tests/TestCpuRBTorsionForce.cpp" did not exist on "aea33abbe089c1ee544bd6ca995b6b109f6c7b0f"
Commit
906a0473
authored
Oct 18, 2011
by
Peter Eastman
Browse files
Bug fixes to CustomGBForce
parent
8b544e9c
Changes
1
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1 changed file
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7 additions
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7 deletions
+7
-7
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+7
-7
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platforms/opencl/src/OpenCLKernels.cpp
View file @
906a0473
...
...
@@ -1746,7 +1746,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
tabulatedFunctionParams
=
new
OpenCLArray
<
mm_float4
>
(
cl
,
tabulatedFunctionParamsVec
.
size
(),
"tabulatedFunctionParameters"
,
false
,
CL_MEM_READ_ONLY
);
tabulatedFunctionParams
->
upload
(
tabulatedFunctionParamsVec
);
cl
.
getNonbondedUtilities
().
addArgument
(
OpenCLNonbondedUtilities
::
ParameterInfo
(
prefix
+
"functionParams"
,
"float"
,
4
,
sizeof
(
cl_float4
),
tabulatedFunctionParams
->
getDeviceBuffer
()));
tableArgs
<<
", __const
ant
float4* "
<<
prefix
<<
"functionParams"
;
tableArgs
<<
", __
global
const float4* "
<<
prefix
<<
"functionParams"
;
}
// Record the global parameters.
...
...
@@ -1834,7 +1834,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
replacements
[
"COMPUTE_VALUE"
]
=
n2ValueSource
.
str
();
stringstream
extraArgs
,
loadLocal1
,
loadLocal2
,
load1
,
load2
;
if
(
force
.
getNumGlobalParameters
()
>
0
)
extraArgs
<<
", __const
ant
float* globals"
;
extraArgs
<<
", __
global
const float* globals"
;
for
(
int
i
=
0
;
i
<
(
int
)
params
->
getBuffers
().
size
();
i
++
)
{
const
OpenCLNonbondedUtilities
::
ParameterInfo
&
buffer
=
params
->
getBuffers
()[
i
];
string
paramName
=
"params"
+
intToString
(
i
+
1
);
...
...
@@ -1881,7 +1881,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream
reductionSource
,
extraArgs
;
if
(
force
.
getNumGlobalParameters
()
>
0
)
extraArgs
<<
", __const
ant
float* globals"
;
extraArgs
<<
", __
global
const float* globals"
;
for
(
int
i
=
0
;
i
<
(
int
)
params
->
getBuffers
().
size
();
i
++
)
{
const
OpenCLNonbondedUtilities
::
ParameterInfo
&
buffer
=
params
->
getBuffers
()[
i
];
string
paramName
=
"params"
+
intToString
(
i
+
1
);
...
...
@@ -1906,7 +1906,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
variables
[
computedValueNames
[
i
-
1
]]
=
"local_values"
+
computedValues
->
getParameterSuffix
(
i
-
1
);
map
<
string
,
Lepton
::
ParsedExpression
>
valueExpressions
;
valueExpressions
[
"local_values"
+
computedValues
->
getParameterSuffix
(
i
)
+
" = "
]
=
Lepton
::
Parser
::
parse
(
computedValueExpressions
[
i
],
functions
).
optimize
();
reductionSource
<<
OpenCLExpressionUtilities
::
createExpressions
(
valueExpressions
,
variables
,
functionDefinitions
,
"value"
+
intToString
(
i
)
+
"_temp"
,
"functionParams"
);
reductionSource
<<
OpenCLExpressionUtilities
::
createExpressions
(
valueExpressions
,
variables
,
functionDefinitions
,
"value"
+
intToString
(
i
)
+
"_temp"
,
prefix
+
"functionParams"
);
}
for
(
int
i
=
0
;
i
<
(
int
)
computedValues
->
getBuffers
().
size
();
i
++
)
{
string
valueName
=
"values"
+
intToString
(
i
+
1
);
...
...
@@ -1974,7 +1974,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
replacements
[
"COMPUTE_INTERACTION"
]
=
n2EnergySource
.
str
();
stringstream
extraArgs
,
loadLocal1
,
loadLocal2
,
clearLocal
,
load1
,
load2
,
declare1
,
recordDeriv
,
storeDerivs1
,
storeDerivs2
,
declareTemps
,
setTemps
;
if
(
force
.
getNumGlobalParameters
()
>
0
)
extraArgs
<<
", __const
ant
float* globals"
;
extraArgs
<<
", __
global
const float* globals"
;
for
(
int
i
=
0
;
i
<
(
int
)
params
->
getBuffers
().
size
();
i
++
)
{
const
OpenCLNonbondedUtilities
::
ParameterInfo
&
buffer
=
params
->
getBuffers
()[
i
];
string
paramName
=
"params"
+
intToString
(
i
+
1
);
...
...
@@ -2065,7 +2065,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream
compute
,
extraArgs
,
reduce
;
if
(
force
.
getNumGlobalParameters
()
>
0
)
extraArgs
<<
", __const
ant
float* globals"
;
extraArgs
<<
", __
global
const float* globals"
;
for
(
int
i
=
0
;
i
<
(
int
)
params
->
getBuffers
().
size
();
i
++
)
{
const
OpenCLNonbondedUtilities
::
ParameterInfo
&
buffer
=
params
->
getBuffers
()[
i
];
string
paramName
=
"params"
+
intToString
(
i
+
1
);
...
...
@@ -2144,7 +2144,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
stringstream
compute
,
extraArgs
;
if
(
force
.
getNumGlobalParameters
()
>
0
)
extraArgs
<<
", __const
ant
float* globals"
;
extraArgs
<<
", __
global
const float* globals"
;
for
(
int
i
=
0
;
i
<
(
int
)
params
->
getBuffers
().
size
();
i
++
)
{
const
OpenCLNonbondedUtilities
::
ParameterInfo
&
buffer
=
params
->
getBuffers
()[
i
];
string
paramName
=
"params"
+
intToString
(
i
+
1
);
...
...
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