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tsoc
openmm
Commits
9e66f0b1
Commit
9e66f0b1
authored
Apr 25, 2016
by
peastman
Browse files
Merge pull request #1469 from peastman/properties
Unified names of platform properties
parents
25d21454
cc4caaba
Changes
35
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Side-by-side
Showing
15 changed files
with
17 additions
and
17 deletions
+17
-17
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
...eba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp
...latforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaPiTorsionForce.cpp
...eba/platforms/cuda/tests/TestCudaAmoebaPiTorsionForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaStretchBendForce.cpp
...a/platforms/cuda/tests/TestCudaAmoebaStretchBendForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaTorsionTorsionForce.cpp
...latforms/cuda/tests/TestCudaAmoebaTorsionTorsionForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
...ns/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
+1
-1
plugins/amoeba/platforms/cuda/tests/TestCudaWcaDispersionForce.cpp
...moeba/platforms/cuda/tests/TestCudaWcaDispersionForce.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
.../platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
+1
-1
plugins/drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
...drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
+2
-2
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp
...ins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp
+1
-1
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp
...tforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp
+1
-1
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp
...e/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp
+2
-2
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
+1
-1
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
+1
-1
No files found.
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaMultipoleForce.cpp
View file @
9e66f0b1
...
...
@@ -3066,7 +3066,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaMultipoleForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
// tests using two ammonia molecules
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaOutOfPlaneBendForce.cpp
View file @
9e66f0b1
...
...
@@ -490,7 +490,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaOutOfPlaneBendForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testOneOutOfPlaneBend
();
testPeriodic
();
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaPiTorsionForce.cpp
View file @
9e66f0b1
...
...
@@ -328,7 +328,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaPiTorsionForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testOnePiTorsion
();
testPeriodic
();
}
catch
(
const
std
::
exception
&
e
)
{
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaStretchBendForce.cpp
View file @
9e66f0b1
...
...
@@ -306,7 +306,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaStretchBendForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testOneStretchBend
();
testPeriodic
();
}
catch
(
const
std
::
exception
&
e
)
{
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaTorsionTorsionForce.cpp
View file @
9e66f0b1
...
...
@@ -2711,7 +2711,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaTorsionTorsionForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testTorsionTorsion
(
1
);
testPeriodic
();
}
catch
(
const
std
::
exception
&
e
)
{
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaAmoebaVdwForce.cpp
View file @
9e66f0b1
...
...
@@ -2015,7 +2015,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaVdwForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testVdw
();
...
...
plugins/amoeba/platforms/cuda/tests/TestCudaWcaDispersionForce.cpp
View file @
9e66f0b1
...
...
@@ -172,7 +172,7 @@ int main(int argc, char* argv[]) {
std
::
cout
<<
"TestCudaAmoebaWcaDispersionForce running test..."
<<
std
::
endl
;
registerAmoebaCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
// test Wca dispersion force using two ammonia molecules
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeForce.cpp
View file @
9e66f0b1
...
...
@@ -197,7 +197,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testSingleParticle
();
testAnisotropicParticle
();
testThole
();
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeLangevinIntegrator.cpp
View file @
9e66f0b1
...
...
@@ -183,7 +183,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testSinglePair
();
testWater
();
}
...
...
plugins/drude/platforms/cuda/tests/TestCudaDrudeSCFIntegrator.cpp
View file @
9e66f0b1
...
...
@@ -110,7 +110,7 @@ void testWater() {
State
state
=
context
.
getState
(
State
::
Energy
);
double
initialEnergy
;
int
numSteps
=
1000
;
double
maxNorm
=
(
platform
.
getPropertyValue
(
context
,
"
Cuda
Precision"
)
==
"double"
?
1.0
:
5.0
);
double
maxNorm
=
(
platform
.
getPropertyValue
(
context
,
"Precision"
)
==
"double"
?
1.0
:
5.0
);
for
(
int
i
=
0
;
i
<
numSteps
;
i
++
)
{
integ
.
step
(
1
);
state
=
context
.
getState
(
State
::
Energy
|
State
::
Forces
);
...
...
@@ -131,7 +131,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testWater
();
}
catch
(
const
std
::
exception
&
e
)
{
...
...
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp
View file @
9e66f0b1
...
...
@@ -197,7 +197,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeOpenCLKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"
OpenCL
Precision"
,
std
::
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
testSingleParticle
();
testAnisotropicParticle
();
testThole
();
...
...
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp
View file @
9e66f0b1
...
...
@@ -183,7 +183,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeOpenCLKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"
OpenCL
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testSinglePair
();
testWater
();
}
...
...
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp
View file @
9e66f0b1
...
...
@@ -110,7 +110,7 @@ void testWater() {
State
state
=
context
.
getState
(
State
::
Energy
);
double
initialEnergy
;
int
numSteps
=
1000
;
double
maxNorm
=
(
platform
.
getPropertyValue
(
context
,
"
OpenCL
Precision"
)
==
"double"
?
1.0
:
5.0
);
double
maxNorm
=
(
platform
.
getPropertyValue
(
context
,
"Precision"
)
==
"double"
?
1.0
:
5.0
);
for
(
int
i
=
0
;
i
<
numSteps
;
i
++
)
{
integ
.
step
(
1
);
state
=
context
.
getState
(
State
::
Energy
|
State
::
Forces
);
...
...
@@ -131,7 +131,7 @@ int main(int argc, char* argv[]) {
try
{
registerDrudeOpenCLKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"
OpenCL
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testWater
();
}
catch
(
const
std
::
exception
&
e
)
{
...
...
plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp
View file @
9e66f0b1
...
...
@@ -554,7 +554,7 @@ int main(int argc, char* argv[]) {
try
{
registerRPMDCudaKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"
Cuda
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"CUDA"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testFreeParticles
();
testParaHydrogen
();
testCMMotionRemoval
();
...
...
plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp
View file @
9e66f0b1
...
...
@@ -555,7 +555,7 @@ int main(int argc, char* argv[]) {
try
{
registerRPMDOpenCLKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"
OpenCL
Precision"
,
string
(
argv
[
1
]));
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
string
(
argv
[
1
]));
testFreeParticles
();
testParaHydrogen
();
testCMMotionRemoval
();
...
...
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