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Martin Kurečka
Plumed AlphaFold
Commits
62f23d87
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Commit
62f23d87
authored
6 years ago
by
carlocamilloni
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Merge branch 'v2.3' into v2.4
parents
865b2037
dc2d61eb
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2 changed files
src/core/ActionWithValue.cpp
+1
-1
1 addition, 1 deletion
src/core/ActionWithValue.cpp
src/tools/OpenMP.h
+1
-1
1 addition, 1 deletion
src/tools/OpenMP.h
with
2 additions
and
2 deletions
src/core/ActionWithValue.cpp
+
1
−
1
View file @
62f23d87
...
...
@@ -70,7 +70,7 @@ void ActionWithValue::clearInputForces() {
}
void
ActionWithValue
::
clearDerivatives
()
{
unsigned
nt
=
OpenMP
::
get
Good
NumThreads
(
values
);
unsigned
nt
=
OpenMP
::
getNumThreads
(
values
);
#pragma omp parallel num_threads(nt)
{
#pragma omp for
...
...
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src/tools/OpenMP.h
+
1
−
1
View file @
62f23d87
...
...
@@ -55,7 +55,7 @@ unsigned OpenMP::getGoodNumThreads(const T*x,unsigned n) {
(
void
)
p
;
// this is not to have warnings. notice that the pointer location is not used actually.
// a factor two is necessary since there is no guarantee that x is aligned
// to cache line boundary
unsigned
m
=
n
/
(
2
*
getCachelineSize
()
*
sizeof
(
T
)
);
unsigned
m
=
n
*
sizeof
(
T
)
/
(
2
*
getCachelineSize
());
unsigned
numThreads
=
getNumThreads
();
if
(
m
>
numThreads
)
m
=
numThreads
;
if
(
m
==
0
)
m
=
1
;
...
...
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