dded GB/VI to Cuda platform

Free energy plugin added Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint Also unit tests for GB/VI currently fail

dded GB/VI to Cuda platform
Free energy plugin added Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint Also unit tests for GB/VI currently fail
7a36f461 · Mark Friedrichs · 43ebedfb · 7a36f461 · 7a36f461 · 7a36f461
Commit 7a36f461 authored Nov 03, 2009 by Mark Friedrichs
20 changed files
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateGBVISoftcoreBornSum.h
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateGBVISoftcoreBornSum.h
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateLocalSoftcoreForces.cu
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateLocalSoftcoreForces.cu
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateNonbondedSoftcore.cu
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateNonbondedSoftcore.cu
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateNonbondedSoftcore.h
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateNonbondedSoftcore.h
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreBornSum.cu
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreBornSum.cu
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreBornSum.h
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreBornSum.h
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreForces2.cu
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreForces2.cu
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreForces2.h
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kCalculateObcGbsaSoftcoreForces2.h
--- a/plugins/freeEnergy/platforms/cuda/src/kernels/kSoftcoreLJ.h
+++ b/plugins/freeEnergy/platforms/cuda/src/kernels/kSoftcoreLJ.h
--- a/plugins/freeEnergy/platforms/cuda/staticTarget/CMakeLists.txt
+++ b/plugins/freeEnergy/platforms/cuda/staticTarget/CMakeLists.txt
--- a/plugins/freeEnergy/platforms/cuda/tests/CMakeLists.txt
+++ b/plugins/freeEnergy/platforms/cuda/tests/CMakeLists.txt
--- a/plugins/freeEnergy/platforms/cuda/tests/TestCudaGBVISoftcoreForce.cpp
+++ b/plugins/freeEnergy/platforms/cuda/tests/TestCudaGBVISoftcoreForce.cpp
--- a/plugins/freeEnergy/platforms/reference/include/ReferenceFreeEnergyKernelFactory.h
+++ b/plugins/freeEnergy/platforms/reference/include/ReferenceFreeEnergyKernelFactory.h
--- a/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernelFactory.cpp
+++ b/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernelFactory.cpp
--- a/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernels.cpp
+++ b/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernels.cpp
--- a/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernels.h
+++ b/plugins/freeEnergy/platforms/reference/src/ReferenceFreeEnergyKernels.h
--- a/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulomb14Softcore.cpp
+++ b/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulomb14Softcore.cpp
--- a/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulomb14Softcore.h
+++ b/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulomb14Softcore.h
--- a/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulombSoftcoreIxn.cpp
+++ b/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulombSoftcoreIxn.cpp
--- a/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulombSoftcoreIxn.h
+++ b/plugins/freeEnergy/platforms/reference/src/SimTKReference/ReferenceFreeEnergyLJCoulombSoftcoreIxn.h