Commit 766f480f authored by peastman's avatar peastman
Browse files

Fixed errors

parent cd874b2b
...@@ -231,7 +231,7 @@ IF (NOT (ANDROID OR PNACL OR (WIN32 AND OPENMM_BUILD_STATIC_LIB))) ...@@ -231,7 +231,7 @@ IF (NOT (ANDROID OR PNACL OR (WIN32 AND OPENMM_BUILD_STATIC_LIB)))
SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files}) SET(SOURCE_INCLUDE_FILES ${SOURCE_INCLUDE_FILES} ${incl_files})
INCLUDE_DIRECTORIES(BEFORE "${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit") INCLUDE_DIRECTORIES(BEFORE "${CMAKE_CURRENT_SOURCE_DIR}/libraries/asmjit")
SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DLEPTON_USE_JIT") SET(EXTRA_COMPILE_FLAGS "${EXTRA_COMPILE_FLAGS} -DLEPTON_USE_JIT")
ENDIF (NOT (ANDROID OR PNACL)) ENDIF (NOT (ANDROID OR PNACL OR (WIN32 AND OPENMM_BUILD_STATIC_LIB)))
# If API wrappers are being generated, and add them to the build. # If API wrappers are being generated, and add them to the build.
SET(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS ON CACHE BOOL "Build wrappers for C and Fortran") SET(OPENMM_BUILD_C_AND_FORTRAN_WRAPPERS ON CACHE BOOL "Build wrappers for C and Fortran")
......
...@@ -2077,7 +2077,10 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ ...@@ -2077,7 +2077,10 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
else else
pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(3, pmeGrid->getDeviceBuffer()); pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(3, pmeGrid->getDeviceBuffer());
pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(4, pmeBsplineTheta->getDeviceBuffer()); pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(4, pmeBsplineTheta->getDeviceBuffer());
pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(13, sigmaEpsilon->getDeviceBuffer()); if (deviceIsCpu || cl.getSupports64BitGlobalAtomics())
pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(13, sigmaEpsilon->getDeviceBuffer());
else
pmeDispersionSpreadChargeKernel.setArg<cl::Buffer>(5, sigmaEpsilon->getDeviceBuffer());
pmeDispersionConvolutionKernel.setArg<cl::Buffer>(0, pmeGrid2->getDeviceBuffer()); pmeDispersionConvolutionKernel.setArg<cl::Buffer>(0, pmeGrid2->getDeviceBuffer());
pmeDispersionConvolutionKernel.setArg<cl::Buffer>(1, pmeDispersionBsplineModuliX->getDeviceBuffer()); pmeDispersionConvolutionKernel.setArg<cl::Buffer>(1, pmeDispersionBsplineModuliX->getDeviceBuffer());
pmeDispersionConvolutionKernel.setArg<cl::Buffer>(2, pmeDispersionBsplineModuliY->getDeviceBuffer()); pmeDispersionConvolutionKernel.setArg<cl::Buffer>(2, pmeDispersionBsplineModuliY->getDeviceBuffer());
......
...@@ -38,7 +38,7 @@ __kernel void updateBsplines(__global const real4* restrict posq, __global real4 ...@@ -38,7 +38,7 @@ __kernel void updateBsplines(__global const real4* restrict posq, __global real4
data[0] = scale*(-dr+1.0f)*data[0]; data[0] = scale*(-dr+1.0f)*data[0];
for (int j = 0; j < PME_ORDER; j++) { for (int j = 0; j < PME_ORDER; j++) {
#ifdef USE_LJPME #ifdef USE_LJPME
const float2 sigEps = sigmaEpsilon[atom]; const float2 sigEps = sigmaEpsilon[i];
const real charge = 8*sigEps.x*sigEps.x*sigEps.x*sigEps.y; const real charge = 8*sigEps.x*sigEps.x*sigEps.x*sigEps.y;
#else #else
const real charge = pos.w; const real charge = pos.w;
......
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