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tsoc
openmm
Commits
53f03e6a
Commit
53f03e6a
authored
Nov 17, 2008
by
Peter Eastman
Browse files
Fixed a few problems related to GBSA
parent
02432980
Changes
3
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3 changed files
with
3 additions
and
3 deletions
+3
-3
platforms/cuda/cuda-cmake/FindCuda.cmake
platforms/cuda/cuda-cmake/FindCuda.cmake
+1
-1
platforms/cuda/src/CudaStreamImpl.h
platforms/cuda/src/CudaStreamImpl.h
+1
-1
platforms/reference/src/gbsa/ImplicitSolventParameters.cpp
platforms/reference/src/gbsa/ImplicitSolventParameters.cpp
+1
-1
No files found.
platforms/cuda/cuda-cmake/FindCuda.cmake
View file @
53f03e6a
...
@@ -117,7 +117,7 @@ ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
...
@@ -117,7 +117,7 @@ ELSE(CUDA_BUILD_TYPE MATCHES "Emulation")
ENDIF
(
CUDA_BUILD_TYPE MATCHES
"Emulation"
)
ENDIF
(
CUDA_BUILD_TYPE MATCHES
"Emulation"
)
SET
(
CUDA_BUILD_CUBIN TRUE CACHE BOOL
"Generate and parse .cubin files in Device mode."
)
SET
(
CUDA_BUILD_CUBIN TRUE CACHE BOOL
"Generate and parse .cubin files in Device mode."
)
SET
(
CUDA_NVCC_FLAGS
""
CACHE STRING
"Semi-colon delimit multiple arguments."
)
SET
(
CUDA_NVCC_FLAGS
"
-maxrregcount=32;-use_fast_math;-O0
"
CACHE STRING
"Semi-colon delimit multiple arguments."
)
# Search for the cuda distribution.
# Search for the cuda distribution.
IF
(
NOT CUDA_INSTALL_PREFIX
)
IF
(
NOT CUDA_INSTALL_PREFIX
)
...
...
platforms/cuda/src/CudaStreamImpl.h
View file @
53f03e6a
...
@@ -33,7 +33,7 @@
...
@@ -33,7 +33,7 @@
* -------------------------------------------------------------------------- */
* -------------------------------------------------------------------------- */
#include "StreamImpl.h"
#include "StreamImpl.h"
#include "kernels/
cuda
types.h"
#include "kernels/
gpu
types.h"
namespace
OpenMM
{
namespace
OpenMM
{
...
...
platforms/reference/src/gbsa/ImplicitSolventParameters.cpp
View file @
53f03e6a
...
@@ -756,7 +756,7 @@ int ImplicitSolventParameters::isNotReady( void ) const {
...
@@ -756,7 +756,7 @@ int ImplicitSolventParameters::isNotReady( void ) const {
if
(
average
<
0.1
||
average
>
1.0
||
minValue
<
0.05
){
if
(
average
<
0.1
||
average
>
1.0
||
minValue
<
0.05
){
errors
++
;
errors
++
;
message
<<
"
\n
atomic radii appear not to be set correctly -- radii should be in
Angstrom
s"
;
message
<<
"
\n
atomic radii appear not to be set correctly -- radii should be in
nanometer
s"
;
message
<<
"
\n
average radius="
<<
average
<<
" min radius="
<<
minValue
<<
" at atom index="
<<
minIndex
;
message
<<
"
\n
average radius="
<<
average
<<
" min radius="
<<
minValue
<<
" at atom index="
<<
minIndex
;
}
}
...
...
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