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tsoc
openmm
Commits
d422c306
Commit
d422c306
authored
Jan 10, 2015
by
Jason Swails
Browse files
Change comments so that it does not reference generating seeds from the clock.
parent
118aab89
Changes
16
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16 changed files
with
32 additions
and
32 deletions
+32
-32
openmmapi/include/openmm/AndersenThermostat.h
openmmapi/include/openmm/AndersenThermostat.h
+3
-3
openmmapi/include/openmm/BrownianIntegrator.h
openmmapi/include/openmm/BrownianIntegrator.h
+3
-3
openmmapi/include/openmm/CustomIntegrator.h
openmmapi/include/openmm/CustomIntegrator.h
+3
-3
openmmapi/include/openmm/LangevinIntegrator.h
openmmapi/include/openmm/LangevinIntegrator.h
+3
-3
openmmapi/include/openmm/MonteCarloAnisotropicBarostat.h
openmmapi/include/openmm/MonteCarloAnisotropicBarostat.h
+3
-3
openmmapi/include/openmm/MonteCarloBarostat.h
openmmapi/include/openmm/MonteCarloBarostat.h
+3
-3
openmmapi/include/openmm/MonteCarloMembraneBarostat.h
openmmapi/include/openmm/MonteCarloMembraneBarostat.h
+3
-3
openmmapi/include/openmm/VariableLangevinIntegrator.h
openmmapi/include/openmm/VariableLangevinIntegrator.h
+3
-3
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
+1
-1
openmmapi/src/MonteCarloBarostatImpl.cpp
openmmapi/src/MonteCarloBarostatImpl.cpp
+1
-1
openmmapi/src/MonteCarloMembraneBarostatImpl.cpp
openmmapi/src/MonteCarloMembraneBarostatImpl.cpp
+1
-1
platforms/cpu/src/CpuRandom.cpp
platforms/cpu/src/CpuRandom.cpp
+1
-1
platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
+1
-1
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
+1
-1
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+1
-1
platforms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.cpp
...rms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.cpp
+1
-1
No files found.
openmmapi/include/openmm/AndersenThermostat.h
View file @
d422c306
...
...
@@ -115,9 +115,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/BrownianIntegrator.h
View file @
d422c306
...
...
@@ -100,9 +100,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/CustomIntegrator.h
View file @
d422c306
...
...
@@ -445,9 +445,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/LangevinIntegrator.h
View file @
d422c306
...
...
@@ -100,9 +100,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/MonteCarloAnisotropicBarostat.h
View file @
d422c306
...
...
@@ -168,9 +168,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/MonteCarloBarostat.h
View file @
d422c306
...
...
@@ -124,9 +124,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/MonteCarloMembraneBarostat.h
View file @
d422c306
...
...
@@ -221,9 +221,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/include/openmm/VariableLangevinIntegrator.h
View file @
d422c306
...
...
@@ -122,9 +122,9 @@ public:
* In particular, Platforms are permitted to use non-deterministic algorithms which produce different
* results on successive runs, even if those runs were initialized identically.
*
* If seed is set to 0 (which is the default value assigned), a
new
seed is
generated from the system
*
clock when a Context
is created from this Force. This is done to ensure that each Context receives
*
unique random seeds
without you needing to set them explicitly.
* If seed is set to 0 (which is the default value assigned), a
unique
seed is
chosen when a Context
* is created from this Force. This is done to ensure that each Context receives
unique random seeds
* without you needing to set them explicitly.
*/
void
setRandomNumberSeed
(
int
seed
)
{
randomNumberSeed
=
seed
;
...
...
openmmapi/src/MonteCarloAnisotropicBarostatImpl.cpp
View file @
d422c306
...
...
@@ -62,7 +62,7 @@ void MonteCarloAnisotropicBarostatImpl::initialize(ContextImpl& context) {
numAccepted
[
i
]
=
0
;
}
int
randSeed
=
owner
.
getRandomNumberSeed
();
// A random seed of 0 means
pull a new one from the clock
// A random seed of 0 means
use a unique one
if
(
randSeed
==
0
)
randSeed
=
osrngseed
();
init_gen_rand
(
randSeed
,
random
);
}
...
...
openmmapi/src/MonteCarloBarostatImpl.cpp
View file @
d422c306
...
...
@@ -60,7 +60,7 @@ void MonteCarloBarostatImpl::initialize(ContextImpl& context) {
numAttempted
=
0
;
numAccepted
=
0
;
int
randSeed
=
owner
.
getRandomNumberSeed
();
// A random seed of 0 means
pull a new one from the clock
// A random seed of 0 means
use a unique one
if
(
randSeed
==
0
)
randSeed
=
osrngseed
();
init_gen_rand
(
randSeed
,
random
);
}
...
...
openmmapi/src/MonteCarloMembraneBarostatImpl.cpp
View file @
d422c306
...
...
@@ -62,7 +62,7 @@ void MonteCarloMembraneBarostatImpl::initialize(ContextImpl& context) {
numAccepted
[
i
]
=
0
;
}
int
randSeed
=
owner
.
getRandomNumberSeed
();
// A random seed of 0 means
pull a new one from the clock
// A random seed of 0 means
use a unique one
if
(
randSeed
==
0
)
randSeed
=
osrngseed
();
init_gen_rand
(
randSeed
,
random
);
}
...
...
platforms/cpu/src/CpuRandom.cpp
View file @
d422c306
...
...
@@ -51,7 +51,7 @@ void CpuRandom::initialize(int seed, int numThreads) {
nextGaussianIsValid
.
resize
(
numThreads
,
false
);
/* Use a quick and dirty RNG to pick seeds for the real random number generator.
* A random seed of 0 means pick a
new random seed based on wall clock
* A random seed of 0 means pick a
unique seed
*/
unsigned
int
r
=
(
unsigned
int
)
seed
;
...
...
platforms/cuda/src/CudaKernels.cpp
View file @
d422c306
...
...
@@ -5969,7 +5969,7 @@ void CudaIntegrateCustomStepKernel::prepareForComputation(ContextImpl& context,
randomSeed
=
CudaArray
::
create
<
int4
>
(
cu
,
cu
.
getNumThreadBlocks
()
*
CudaContext
::
ThreadBlockSize
,
"randomSeed"
);
vector
<
int4
>
seed
(
randomSeed
->
getSize
());
int
rseed
=
integrator
.
getRandomNumberSeed
();
// A random seed of 0 means
generate a new one from the wall clock
// A random seed of 0 means
use a unique one
if
(
rseed
==
0
)
rseed
=
osrngseed
();
unsigned
int
r
=
(
unsigned
int
)
(
rseed
+
1
);
...
...
platforms/opencl/src/OpenCLIntegrationUtilities.cpp
View file @
d422c306
...
...
@@ -1004,7 +1004,7 @@ void OpenCLIntegrationUtilities::initRandomNumberGenerator(unsigned int randomNu
vector
<
mm_int4
>
seed
(
randomSeed
->
getSize
());
unsigned
int
r
=
randomNumberSeed
;
// A seed of 0 means
pull one from the clock
// A seed of 0 means
use a unique one
if
(
r
==
0
)
r
=
(
unsigned
int
)
osrngseed
();
for
(
int
i
=
0
;
i
<
randomSeed
->
getSize
();
i
++
)
{
seed
[
i
].
x
=
r
=
(
1664525
*
r
+
1013904223
)
&
0xFFFFFFFF
;
...
...
platforms/opencl/src/OpenCLKernels.cpp
View file @
d422c306
...
...
@@ -6202,7 +6202,7 @@ void OpenCLIntegrateCustomStepKernel::prepareForComputation(ContextImpl& context
randomSeed
=
OpenCLArray
::
create
<
mm_int4
>
(
cl
,
cl
.
getNumThreadBlocks
()
*
OpenCLContext
::
ThreadBlockSize
,
"randomSeed"
);
vector
<
mm_int4
>
seed
(
randomSeed
->
getSize
());
int
rseed
=
integrator
.
getRandomNumberSeed
();
// A random seed of 0 means
generate a new one from the wall clock
// A random seed of 0 means
use a unique one
if
(
rseed
==
0
)
rseed
=
osrngseed
();
unsigned
int
r
=
(
unsigned
int
)
(
rseed
+
1
);
...
...
platforms/reference/src/SimTKUtilities/SimTKOpenMMUtilities.cpp
View file @
d422c306
...
...
@@ -362,7 +362,7 @@ void SimTKOpenMMUtilities::setRandomNumberSeed( uint32_t seed ) {
// ---------------------------------------------------------------------------------------
// If the seed is 0,
generate one from the clock
// If the seed is 0,
use a unique seed
if
(
seed
==
0
)
_randomNumberSeed
=
(
uint32_t
)
osrngseed
();
else
...
...
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