Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
529bf0f2
Unverified
Commit
529bf0f2
authored
Nov 12, 2019
by
Andy Simmonett
Browse files
Add extra test to compare DrudeNoseHoover across platforms
parent
7f1dd6a3
Changes
4
Expand all
Show whitespace changes
Inline
Side-by-side
Showing
4 changed files
with
311 additions
and
24 deletions
+311
-24
plugins/drude/platforms/cuda/tests/TestCudaDrudeNoseHoover.cpp
...ns/drude/platforms/cuda/tests/TestCudaDrudeNoseHoover.cpp
+2
-4
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeNoseHoover.cpp
...rude/platforms/opencl/tests/TestOpenCLDrudeNoseHoover.cpp
+4
-4
plugins/drude/platforms/reference/tests/TestReferenceDrudeNoseHoover.cpp
...latforms/reference/tests/TestReferenceDrudeNoseHoover.cpp
+4
-13
plugins/drude/tests/TestDrudeNoseHoover.h
plugins/drude/tests/TestDrudeNoseHoover.h
+301
-3
No files found.
plugins/drude/platforms/cuda/tests/TestCudaDrudeNoseHoover.cpp
View file @
529bf0f2
...
@@ -48,8 +48,9 @@ using namespace std;
...
@@ -48,8 +48,9 @@ using namespace std;
extern
"C"
OPENMM_EXPORT
void
registerDrudeCudaKernelFactories
();
extern
"C"
OPENMM_EXPORT
void
registerDrudeCudaKernelFactories
();
//OpenMM::CudaPlatform platform;
void
runPlatformTests
()
{
}
#include "TestDrudeNoseHoover.h"
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
registerDrudeCudaKernelFactories
();
registerDrudeCudaKernelFactories
();
...
@@ -57,7 +58,4 @@ Platform& initializePlatform(int argc, char* argv[]) {
...
@@ -57,7 +58,4 @@ Platform& initializePlatform(int argc, char* argv[]) {
return
Platform
::
getPlatformByName
(
"CUDA"
);
return
Platform
::
getPlatformByName
(
"CUDA"
);
}
}
#include "TestDrudeNoseHoover.h"
void
runPlatformTests
()
{
}
plugins/drude/platforms/opencl/tests/TestOpenCLDrudeNoseHoover.cpp
View file @
529bf0f2
...
@@ -48,13 +48,13 @@ using namespace std;
...
@@ -48,13 +48,13 @@ using namespace std;
extern
"C"
OPENMM_EXPORT
void
registerDrudeOpenCLKernelFactories
();
extern
"C"
OPENMM_EXPORT
void
registerDrudeOpenCLKernelFactories
();
void
runPlatformTests
()
{
}
#include "TestDrudeNoseHoover.h"
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
registerDrudeOpenCLKernelFactories
();
registerDrudeOpenCLKernelFactories
();
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
if
(
argc
>
1
)
Platform
::
getPlatformByName
(
"OpenCL"
).
setPropertyDefaultValue
(
"Precision"
,
std
::
string
(
argv
[
1
]));
return
Platform
::
getPlatformByName
(
"OpenCL"
);
return
Platform
::
getPlatformByName
(
"OpenCL"
);
}
}
#include "TestDrudeNoseHoover.h"
void
runPlatformTests
()
{
}
plugins/drude/platforms/reference/tests/TestReferenceDrudeNoseHoover.cpp
View file @
529bf0f2
...
@@ -30,26 +30,17 @@
...
@@ -30,26 +30,17 @@
* -------------------------------------------------------------------------- */
* -------------------------------------------------------------------------- */
//#include "ReferenceTests.h"
//#include "ReferenceTests.h"
#include "openmm/internal/AssertionUtilities.h"
#include "openmm/Context.h"
#include "openmm/NonbondedForce.h"
#include "openmm/Platform.h"
#include "openmm/Platform.h"
#include "openmm/System.h"
#include "openmm/VerletIntegrator.h"
#include "openmm/DrudeForce.h"
#include "SimTKOpenMMUtilities.h"
#include "ReferencePlatform.h"
#include <iostream>
#include <vector>
using
namespace
OpenMM
;
using
namespace
OpenMM
;
using
namespace
std
;
using
namespace
std
;
extern
"C"
OPENMM_EXPORT
void
registerDrudeReferenceKernelFactories
();
//
extern "C" OPENMM_EXPORT void registerDrudeReferenceKernelFactories();
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
Platform
&
initializePlatform
(
int
argc
,
char
*
argv
[])
{
registerDrudeReferenceKernelFactories
();
/* registerDrudeReferenceKernelFactories();
*/
return
Platform
::
getPlatformByName
(
"Reference"
);
return
Platform
::
getPlatformByName
(
"Reference"
);
}
}
...
...
plugins/drude/tests/TestDrudeNoseHoover.h
View file @
529bf0f2
This diff is collapsed.
Click to expand it.
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment