Commit 53f03e6a authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed a few problems related to GBSA

parent 02432980
...@@ -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)
......
...@@ -33,7 +33,7 @@ ...@@ -33,7 +33,7 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "StreamImpl.h" #include "StreamImpl.h"
#include "kernels/cudatypes.h" #include "kernels/gputypes.h"
namespace OpenMM { namespace OpenMM {
......
...@@ -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 Angstroms"; message << "\n atomic radii appear not to be set correctly -- radii should be in nanometers";
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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