Skipping 951 KB..
Full Log/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(500): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(522): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(523): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(524): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(534): warning: function "__any"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(180): here was declared deprecated ("__any() is deprecated in favor of __any_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(535): warning: function "__any"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(180): here was declared deprecated ("__any() is deprecated in favor of __any_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(625): warning: function "__shfl_xor(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(295): here was declared deprecated ("__shfl_xor() is deprecated in favor of __shfl_xor_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(626): warning: function "__shfl_xor(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(295): here was declared deprecated ("__shfl_xor() is deprecated in favor of __shfl_xor_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(627): warning: function "__shfl_xor(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(295): here was declared deprecated ("__shfl_xor() is deprecated in favor of __shfl_xor_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(653): warning: function "__any"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(180): here was declared deprecated ("__any() is deprecated in favor of __any_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(654): warning: function "__any"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(180): here was declared deprecated ("__any() is deprecated in favor of __any_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeNonbondedKernel.cu(131): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(132): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(134): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(141): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(142): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(143): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(145): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(146): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaComputeNonbondedKernel.cu(147): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during instantiation of "void nonbondedForceKernel<doEnergy,doVirial,doSlow,doPairlist,doStreaming>(int, int, const TileList *, TileExcl *, const int *, int, const float2 *, const int *, float, float, float, const float4 *, float, cudaTextureObject_t, cudaTextureObject_t, int, float, const PatchPairRecord *, const int *, const int2 *, const unsigned int *, unsigned int *, int *, int *, TileListStat *, const BoundingBox *, float4 *, float4 *, int, unsigned int *, const CudaPatchRecord *, float4 *, float4 *, int *, int *, TileListVirialEnergy *) [with doEnergy=false, doVirial=false, doSlow=false, doPairlist=false, doStreaming=true]"
(1137): here
src/CudaPmeSolverUtilKernel.cu(290): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(291): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(292): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(293): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(294): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(295): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(296): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(297): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(298): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(299): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(300): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(301): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(302): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(303): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(327): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(328): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(329): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(330): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(331): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(332): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(333): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(334): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(335): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(336): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(337): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(338): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(339): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(340): warning: function "__shfl(int, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(152): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(20): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(51): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(52): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(60): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(117): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(118): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(127): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(128): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(959): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(960): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(129): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(961): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(963): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(130): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(964): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(965): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(967): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(968): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(245): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaPmeSolverUtilKernel.cu(969): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(246): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(247): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(255): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(256): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(257): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(380): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(381): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaComputeGBISKernel.cu(382): warning: function "__shfl(float, int, int)"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_30_intrinsics.hpp(244): here was declared deprecated ("__shfl() is deprecated in favor of __shfl_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 40 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 80 computed using thread count
ptxas info : 1 bytes gmem
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi3EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi3EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 50 registers, 432 bytes cmem[0], 92 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb1ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb1ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 54 registers, 464 bytes cmem[0], 48 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb1ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb1ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 464 bytes cmem[0], 48 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb1ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 464 bytes cmem[0], 48 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi2EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 43 registers, 464 bytes cmem[0], 48 bytes cmem[2]
ptxas info : Compiling entry function '_Z11GBIS_KernelILb0ELb0ELi1EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z11GBIS_KernelILb0ELb0ELi1EEviPK8TileListPKiPK15PatchPairRecordfffPK6float4f9GBISParamIXT1_EEPKfSE_SE_PfPS8_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 432 bytes cmem[0], 92 bytes cmem[2]
ptxas info : 0 bytes gmem, 8192 bytes cmem[3]
ptxas info : Compiling entry function '_Z14GBIS_P3_KernelPK10patch_pairPK4atomPKfS6_S6_fff6float3S7_S7_P6float4S9_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P3_KernelPK10patch_pairPK4atomPKfS6_S6_fff6float3S7_S7_P6float4S9_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 1600 bytes smem, 432 bytes cmem[0], 96 bytes cmem[2]
ptxas info : Compiling entry function '_Z14GBIS_P2_KernelPK10patch_pairPK4atomPKfPfS7_fffffff6float3S8_S8_iiP6float4SA_S7_S7_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P2_KernelPK10patch_pairPK4atomPKfPfS7_fffffff6float3S8_S8_iiP6float4SA_S7_S7_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 2112 bytes smem, 472 bytes cmem[0], 48 bytes cmem[2]
ptxas info : Compiling entry function '_Z14GBIS_P1_KernelPK10patch_pairPK4atomPKfS6_PfS7_ff6float3S8_S8_Pj' for 'sm_35'
ptxas info : Function properties for _Z14GBIS_P1_KernelPK10patch_pairPK4atomPKfS6_PfS7_ff6float3S8_S8_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 39 registers, 576 bytes smem, 424 bytes cmem[0], 96 bytes cmem[2]
ptxas info : Compiling entry function '_Z13dev_nonbondedPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z13dev_nonbondedPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
16 bytes stack frame, 16 bytes spill stores, 24 bytes spill loads
ptxas info : Used 40 registers, 288 bytes smem, 540 bytes cmem[0], 8 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z20dev_nonbonded_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z20dev_nonbonded_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
16 bytes stack frame, 16 bytes spill stores, 24 bytes spill loads
ptxas info : Used 40 registers, 288 bytes smem, 544 bytes cmem[0], 8 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z18dev_nonbonded_slowPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z18dev_nonbonded_slowPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
144 bytes stack frame, 476 bytes spill stores, 336 bytes spill loads
ptxas info : Used 40 registers, 480 bytes smem, 540 bytes cmem[0], 8 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z25dev_nonbonded_slow_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z25dev_nonbonded_slow_energyPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
152 bytes stack frame, 480 bytes spill stores, 344 bytes spill loads
ptxas info : Used 40 registers, 480 bytes smem, 544 bytes cmem[0], 8 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z22dev_nonbonded_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z22dev_nonbonded_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
32 bytes stack frame, 40 bytes spill stores, 48 bytes spill loads
ptxas info : Used 48 registers, 1648 bytes smem, 540 bytes cmem[0], 8 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z29dev_nonbonded_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z29dev_nonbonded_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
32 bytes stack frame, 40 bytes spill stores, 48 bytes spill loads
ptxas info : Used 48 registers, 1648 bytes smem, 544 bytes cmem[0], 8 bytes cmem[2], 3 textures
ptxas info : Compiling entry function '_Z27dev_nonbonded_slow_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z27dev_nonbonded_slow_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
136 bytes stack frame, 224 bytes spill stores, 228 bytes spill loads
ptxas info : Used 48 registers, 3232 bytes smem, 540 bytes cmem[0], 8 bytes cmem[2], 2 textures
ptxas info : Compiling entry function '_Z34dev_nonbonded_slow_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi' for 'sm_35'
ptxas info : Function properties for _Z34dev_nonbonded_slow_energy_pairlistPK10patch_pairPK4atomPK10atom_paramPKiPjP6float4SC_SC_SC_PfSD_SD_SD_SA_PiPKjiiiSE_P8exclmaski6float3SJ_SJ_ffi
120 bytes stack frame, 204 bytes spill stores, 216 bytes spill loads
ptxas info : Used 48 registers, 3232 bytes smem, 544 bytes cmem[0], 8 bytes cmem[2], 3 textures
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/CudaTileListKernel.o -c `echo src/`CudaTileListKernel.cu
.rootdir/cub/cub/device/dispatch/../../agent/../thread/../util_ptx.cuh(694): warning: function "__all"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(181): here was declared deprecated ("__all() is deprecated in favor of __all_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
.rootdir/cub/cub/device/dispatch/../../agent/../thread/../util_ptx.cuh(720): warning: function "__any"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/device_atomic_functions.h(180): here was declared deprecated ("__any() is deprecated in favor of __any_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaTileListKernel.cu(595): warning: function "__ballot"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_20_intrinsics.h(407): here was declared deprecated ("__ballot() is deprecated in favor of __ballot_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
src/CudaTileListKernel.cu(605): warning: function "__ballot"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_20_intrinsics.h(407): here was declared deprecated ("__ballot() is deprecated in favor of __ballot_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
.rootdir/cub/cub/device/dispatch/../../agent/../warp/specializations/warp_reduce_shfl.cuh(442): warning: function "__ballot"
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include/sm_20_intrinsics.h(407): here was declared deprecated ("__ballot() is deprecated in favor of __ballot_sync() and may be removed in a future release (Use -Wno-deprecated-declarations to suppress this warning).")
detected during:
instantiation of "T cub::WarpReduceShfl<T, LOGICAL_WARP_THREADS, PTX_ARCH>::SegmentedReduce<HEAD_SEGMENTED,FlagT,ReductionOp>(T, FlagT, ReductionOp) [with T=int, LOGICAL_WARP_THREADS=32, PTX_ARCH=350, HEAD_SEGMENTED=false, FlagT=int, ReductionOp=cub::SwizzleScanOp<cub::Sum>]"
.rootdir/cub/cub/device/dispatch/../../agent/../warp/warp_reduce.cuh(601): here
instantiation of "T cub::WarpReduce<T, LOGICAL_WARP_THREADS, PTX_ARCH>::TailSegmentedReduce(T, FlagT, ReductionOp) [with T=int, LOGICAL_WARP_THREADS=32, PTX_ARCH=350, ReductionOp=cub::SwizzleScanOp<cub::Sum>, FlagT=int]"
.rootdir/cub/cub/device/dispatch/../../agent/single_pass_scan_operators.cuh(716): here
instantiation of "void cub::TilePrefixCallbackOp<T, ScanOpT, ScanTileStateT>::ProcessWindow(int, cub::TilePrefixCallbackOp<T, ScanOpT, ScanTileStateT>::StatusWord &, T &) [with T=int, ScanOpT=cub::Sum, ScanTileStateT=cub::ScanTileState<int, true>]"
.rootdir/cub/cub/device/dispatch/../../agent/single_pass_scan_operators.cuh(735): here
instantiation of "T cub::TilePrefixCallbackOp<T, ScanOpT, ScanTileStateT>::operator()(T) [with T=int, ScanOpT=cub::Sum, ScanTileStateT=cub::ScanTileState<int, true>]"
.rootdir/cub/cub/device/dispatch/../../agent/../block/../block/specializations/block_scan_raking.cuh(361): here
instantiation of "void cub::BlockScanRaking<T, BLOCK_DIM_X, BLOCK_DIM_Y, BLOCK_DIM_Z, MEMOIZE, PTX_ARCH>::ExclusiveScan(T, T &, T, ScanOp, T &, BlockPrefixCallbackOp &) [with T=int, BLOCK_DIM_X=128, BLOCK_DIM_Y=1, BLOCK_DIM_Z=1, MEMOIZE=false, PTX_ARCH=350, ScanOp=cub::Sum, BlockPrefixCallbackOp=cub::TilePrefixCallbackOp<int, cub::Sum, cub::ScanTileState<int, true>>]"
.rootdir/cub/cub/device/dispatch/../../agent/../block/../block/block_scan.cuh(905): here
[ 4 instantiation contexts not shown ]
instantiation of "void cub::AgentScan<AgentScanPolicyT, InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT>::ConsumeTile<IS_FULL_TILE>(OffsetT, OffsetT, int, OffsetT, cub::AgentScan<AgentScanPolicyT, InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT>::ScanTileStateT &) [with AgentScanPolicyT=cub::DispatchScan<int *, int *, cub::Sum, int, int>::PtxAgentScanPolicy, InputIteratorT=int *, OutputIteratorT=int *, ScanOpT=cub::Sum, IdentityT=int, OffsetT=int, IS_FULL_TILE=true]"
.rootdir/cub/cub/device/dispatch/../../agent/agent_scan.cuh(372): here
instantiation of "void cub::AgentScan<AgentScanPolicyT, InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT>::ConsumeRange(int, cub::AgentScan<AgentScanPolicyT, InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT>::ScanTileStateT &) [with AgentScanPolicyT=cub::DispatchScan<int *, int *, cub::Sum, int, int>::PtxAgentScanPolicy, InputIteratorT=int *, OutputIteratorT=int *, ScanOpT=cub::Sum, IdentityT=int, OffsetT=int]"
.rootdir/cub/cub/device/dispatch/dispatch_scan.cuh(127): here
instantiation of "void cub::DeviceScanSweepKernel<ScanPolicyT,InputIteratorT,OutputIteratorT,ScanTileStateT,ScanOpT,IdentityT,OffsetT>(InputIteratorT, OutputIteratorT, ScanTileStateT, ScanOpT, IdentityT, OffsetT) [with ScanPolicyT=cub::DispatchScan<int *, int *, cub::Sum, int, int>::PtxAgentScanPolicy, InputIteratorT=int *, OutputIteratorT=int *, ScanTileStateT=cub::ScanTileState<int, true>, ScanOpT=cub::Sum, IdentityT=int, OffsetT=int]"
.rootdir/cub/cub/device/dispatch/dispatch_scan.cuh(543): here
instantiation of "cudaError_t cub::DispatchScan<InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT>::Dispatch(void *, size_t &, InputIteratorT, OutputIteratorT, ScanOpT, IdentityT, OffsetT, cudaStream_t, __nv_bool) [with InputIteratorT=int *, OutputIteratorT=int *, ScanOpT=cub::Sum, IdentityT=int, OffsetT=int]"
.rootdir/cub/cub/device/device_scan.cuh(156): here
instantiation of "cudaError_t cub::DeviceScan::ExclusiveSum(void *, size_t &, InputIteratorT, OutputIteratorT, int, cudaStream_t, __nv_bool) [with InputIteratorT=int *, OutputIteratorT=int *]"
src/CudaTileListKernel.cu(1218): here
/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/bin/nvcc -O3 -ftz=true --maxrregcount 48 -arch sm_35 -Xcompiler "-m64" -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -Xptxas -v -o obj/DeviceCUDAkernel.o -c `echo src/`DeviceCUDAkernel.cu
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/dcdplugin.o -c -DVMDPLUGIN=molfile_dcdplugin plugins/molfile_plugin/src/dcdplugin.c
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/jsplugin.o -c -DVMDPLUGIN=molfile_jsplugin plugins/molfile_plugin/src/jsplugin.c
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function '_Z21read_CUDA_ARCH_kernelPi' for 'sm_35'
ptxas info : Function properties for _Z21read_CUDA_ARCH_kernelPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 5 registers, 328 bytes cmem[0]
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/namdbinplugin.o -c -DVMDPLUGIN=molfile_namdbinplugin plugins/molfile_plugin/src/namdbinplugin.c
ptxas info : 0 bytes gmem
ptxas info : Compiling entry function '_Z29batchTranspose_xyz_zxy_kernelI6float2EvPK14TransposeBatchIT_Eiiii' for 'sm_35'
ptxas info : Function properties for _Z29batchTranspose_xyz_zxy_kernelI6float2EvPK14TransposeBatchIT_Eiiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 25 registers, 8448 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z24transpose_xyz_zxy_kernelI6float2EviiiiiiiPKT_PS1_' for 'sm_35'
ptxas info : Function properties for _Z24transpose_xyz_zxy_kernelI6float2EviiiiiiiPKT_PS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 16 registers, 8448 bytes smem, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z29batchTranspose_xyz_yzx_kernelI6float2EvPK14TransposeBatchIT_Eiiii' for 'sm_35'
ptxas info : Function properties for _Z29batchTranspose_xyz_yzx_kernelI6float2EvPK14TransposeBatchIT_Eiiii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 26 registers, 8448 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z24transpose_xyz_yzx_kernelI6float2EviiiiiiiPKT_PS1_' for 'sm_35'
ptxas info : Function properties for _Z24transpose_xyz_yzx_kernelI6float2EviiiiiiiPKT_PS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 16 registers, 8448 bytes smem, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li8ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li8ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
184 bytes stack frame, 188 bytes spill stores, 424 bytes spill loads
ptxas info : Used 48 registers, 7040 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li6ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li6ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
120 bytes stack frame, 120 bytes spill stores, 124 bytes spill loads
ptxas info : Used 48 registers, 5504 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb0ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 32 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb0ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 32 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb1ELb0EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 32 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z18gather_force_orthoIf6float3Li4ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_' for 'sm_35'
ptxas info : Function properties for _Z18gather_force_orthoIf6float3Li4ELb1ELb1EEvPK6float4iiiiiiiiiifffPKfyiPT0_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 3968 bytes smem, 416 bytes cmem[0]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb0ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb0ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 22 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb0ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb0ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 22 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb1ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb1ELb0EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z23scalar_sum_ortho_kernelIf6float2Lb1ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_' for 'sm_35'
ptxas info : Function properties for _Z23scalar_sum_ortho_kernelIf6float2Lb1ELb1EEviiiiiiiiiT_S1_S1_PKS1_S3_S3_S1_S1_iiPT0_PdS6_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 432 bytes cmem[0], 28 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 3456 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 3456 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 3456 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi8ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi8ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 3456 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 2688 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 2688 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 2688 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi6ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi6ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 2688 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb0ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 1920 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb0ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 39 registers, 1920 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb1ELb0EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 39 registers, 1920 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z26spread_charge_ortho_kernelIfLi4ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_' for 'sm_35'
ptxas info : Function properties for _Z26spread_charge_ortho_kernelIfLi4ELb1ELb1EEvPK6float4ifffiiiiiiiiiPT_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 39 registers, 1920 bytes smem, 392 bytes cmem[0], 4 bytes cmem[2]
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/pdbplugin.o -c -DVMDPLUGIN=molfile_pdbplugin plugins/molfile_plugin/src/pdbplugin.c
cc -Iplugins/molfile_plugin/src -Iplugins/include -DSTATIC_PLUGIN -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/psfplugin.o -c -DVMDPLUGIN=molfile_psfplugin plugins/molfile_plugin/src/psfplugin.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/tcl_psfgen.o -c sb/src/tcl_psfgen.c
ptxas info : 1 bytes gmem, 8192 bytes cmem[3]
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
80 bytes stack frame, 72 bytes spill stores, 76 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
48 bytes stack frame, 28 bytes spill stores, 28 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
80 bytes stack frame, 76 bytes spill stores, 80 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
40 bytes stack frame, 32 bytes spill stores, 36 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
56 bytes stack frame, 36 bytes spill stores, 36 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
32 bytes stack frame, 12 bytes spill stores, 16 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
48 bytes stack frame, 36 bytes spill stores, 36 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 8 bytes spill stores, 8 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 8 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 44 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
8 bytes stack frame, 8 bytes spill stores, 8 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 47 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 35 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb0EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 36 registers, 584 bytes cmem[0]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
96 bytes stack frame, 88 bytes spill stores, 112 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
64 bytes stack frame, 40 bytes spill stores, 60 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
96 bytes stack frame, 92 bytes spill stores, 116 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
56 bytes stack frame, 44 bytes spill stores, 68 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
72 bytes stack frame, 48 bytes spill stores, 68 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
48 bytes stack frame, 24 bytes spill stores, 48 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
64 bytes stack frame, 52 bytes spill stores, 72 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb1ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
40 bytes stack frame, 24 bytes spill stores, 44 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 12 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
32 bytes stack frame, 16 bytes spill stores, 32 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
24 bytes stack frame, 20 bytes spill stores, 40 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb1ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb1ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
16 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb1ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 45 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z20nonbondedForceKernelILb0ELb0ELb0ELb0ELb1EEviiPK8TileListP8TileExclPKiiPK6float2S6_fffPK6float4fyyifPK15PatchPairRecordS6_PK4int2PKjPjPiSM_P12TileListStatPK11BoundingBoxPSA_SS_iSL_PK15CudaPatchRecordSS_SS_SM_SM_P20TileListVirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 40 registers, 584 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z22reduceGBISEnergyKerneliPK20TileListVirialEnergyP12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z22reduceGBISEnergyKerneliPK20TileListVirialEnergyP12VirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 16 registers, 296 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z24reduceVirialEnergyKernelbbbiPK20TileListVirialEnergyP12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z24reduceVirialEnergyKernelbbbiPK20TileListVirialEnergyP12VirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 42 registers, 624 bytes smem, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z27reduceNonbondedVirialKernelbiPK6float4S1_S1_P12VirialEnergy' for 'sm_35'
ptxas info : Function properties for _Z27reduceNonbondedVirialKernelbiPK6float4S1_S1_P12VirialEnergy
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 30 registers, 164 bytes smem, 360 bytes cmem[0]
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/charmm_file.o -c sb/src/charmm_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/charmm_parse_topo_defs.o -c sb/src/charmm_parse_topo_defs.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/extract_alias.o -c sb/src/extract_alias.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/hash.o -c sb/src/hash.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/hasharray.o -c sb/src/hasharray.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/memarena.o -c sb/src/memarena.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/pdb_file.o -c sb/src/pdb_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/pdb_file_extract.o -c sb/src/pdb_file_extract.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/psf_file.o -c sb/src/psf_file.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/psf_file_extract.o -c sb/src/psf_file_extract.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_defs.o -c sb/src/topo_defs.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol.o -c sb/src/topo_mol.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol_output.o -c sb/src/topo_mol_output.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/topo_mol_pluginio.o -c sb/src/topo_mol_pluginio.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/stringhash.o -c sb/src/stringhash.c
src/sortreplicas.c: In function 'main':
src/sortreplicas.c:52:5: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:85:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:92:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:102:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:110:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:131:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:138:7: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:146:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:172:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:178:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:188:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:193:9: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:219:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:225:11: warning: incompatible implicit declaration of built-in function 'exit'
exit(-1);
^
src/sortreplicas.c:259:3: warning: incompatible implicit declaration of built-in function 'free'
free(frame.coords);
^
src/sortreplicas.c:281:3: warning: incompatible implicit declaration of built-in function 'exit'
exit(0);
^
ptxas info : Overriding global maxrregcount 48 with entry-specific value 255 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 64 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 255 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 128 computed using thread count
ptxas info : Overriding global maxrregcount 48 with entry-specific value 128 computed using thread count
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/tcl_main.o -c sb/src/tcl_main.c
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o obj/sortreplicas.o -c src/sortreplicas.c
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMoa.o -c src/ComputeMoa.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMsm.o -c src/ComputeMsm.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeMsmSerial.o -c src/ComputeMsmSerial.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/ComputeFmmSerial.o -c src/ComputeFmmSerial.C
ptxas info : 1 bytes gmem
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 80 registers, 7760 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 91 registers, 8864 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 32 registers, 2112 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb1EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
16 bytes stack frame, 36 bytes spill stores, 20 bytes spill loads
ptxas info : Used 40 registers, 4224 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1EjiiEEvPT1_S5_PT2_S7_T3_ii' for 'sm_35'
ptxas info : Function properties for _ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1EjiiEEvPT1_S5_PT2_S7_T3_ii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 92 registers, 8736 bytes smem, 364 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 80 registers, 7760 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub30DeviceRadixSortDownsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiiEEvPT2_S5_PT3_S7_PT4_S8_iiNS_13GridEvenShareIS8_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 91 registers, 8864 bytes smem, 408 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub23RadixSortScanBinsKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520EiEEvPT0_i' for 'sm_35'
ptxas info : Function properties for _ZN3cub23RadixSortScanBinsKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520EiEEvPT0_i
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 23 registers, 176 bytes smem, 332 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb1ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 32 registers, 2112 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE' for 'sm_35'
ptxas info : Function properties for _ZN3cub28DeviceRadixSortUpsweepKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0ELb0EjiEEvPT2_PT3_S6_iiNS_13GridEvenShareIS6_EE
16 bytes stack frame, 36 bytes spill stores, 20 bytes spill loads
ptxas info : Used 40 registers, 4224 bytes smem, 384 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0EjiiEEvPT1_S5_PT2_S7_T3_ii' for 'sm_35'
ptxas info : Function properties for _ZN3cub31DeviceRadixSortSingleTileKernelINS_21DeviceRadixSortPolicyIjiiE9Policy520ELb0EjiiEEvPT1_S5_PT2_S7_T3_ii
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 92 registers, 8736 bytes smem, 364 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub21DeviceScanSweepKernelINS_12DispatchScanIPiS2_NS_3SumEiiE18PtxAgentScanPolicyES2_S2_NS_13ScanTileStateIiLb1EEES3_iiEEvT0_T1_T2_T3_T4_T5_' for 'sm_35'
ptxas info : Function properties for _ZN3cub21DeviceScanSweepKernelINS_12DispatchScanIPiS2_NS_3SumEiiE18PtxAgentScanPolicyES2_S2_NS_13ScanTileStateIiLb1EEES3_iiEEvT0_T1_T2_T3_T4_T5_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 28 registers, 1536 bytes smem, 356 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_ZN3cub20DeviceScanInitKernelINS_13ScanTileStateIiLb1EEEEEvT_i' for 'sm_35'
ptxas info : Function properties for _ZN3cub20DeviceScanInitKernelINS_13ScanTileStateIiLb1EEEEEvT_i
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 7 registers, 332 bytes cmem[0]
ptxas info : Compiling entry function '_ZN3cub11EmptyKernelIvEEvv' for 'sm_35'
ptxas info : Function properties for _ZN3cub11EmptyKernelIvEEvv
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 2 registers, 320 bytes cmem[0]
ptxas info : Compiling entry function '_Z19sortTileListsKernelIjiLb0EEviiiiT_PS0_S1_PT0_S3_' for 'sm_35'
ptxas info : Function properties for _Z19sortTileListsKernelIjiLb0EEviiiiT_PS0_S1_PT0_S3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 116 registers, 45056 bytes smem, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z9localSortILi32EEviiiPjPi' for 'sm_35'
ptxas info : Function properties for _Z9localSortILi32EEviiiPjPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 29 registers, 1168 bytes smem, 352 bytes cmem[0]
ptxas info : Compiling entry function '_Z19sortTileListsKernelIjiLb1EEviiiiT_PS0_S1_PT0_S3_' for 'sm_35'
ptxas info : Function properties for _Z19sortTileListsKernelIjiLb1EEviiiiT_PS0_S1_PT0_S3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 116 registers, 45056 bytes smem, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z19updatePatchesKernelILi32EEviPKiPK17CudaComputeRecordPK15CudaPatchRecordP8TileList' for 'sm_35'
ptxas info : Function properties for _Z19updatePatchesKernelILi32EEviPKiPK17CudaComputeRecordPK15CudaPatchRecordP8TileList
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 20 registers, 360 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z21calcTileListPosKernelILi1024EEviPK17CudaComputeRecordPK15CudaPatchRecordPi' for 'sm_35'
ptxas info : Function properties for _Z21calcTileListPosKernelILi1024EEviPK17CudaComputeRecordPK15CudaPatchRecordPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 48 registers, 4240 bytes smem, 352 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z21bitshiftTileListDepthiiPj' for 'sm_35'
ptxas info : Function properties for _Z21bitshiftTileListDepthiiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 6 registers, 336 bytes cmem[0]
ptxas info : Compiling entry function '_Z20reOrderTileListDepthiPKiPjS1_' for 'sm_35'
ptxas info : Function properties for _Z20reOrderTileListDepthiPKiPjS1_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 6 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_Z21repackTileListsKerneliiPKiS0_S0_PK8TileListPS1_PK15PatchPairRecordPS5_S0_PiPK8TileExclPSA_' for 'sm_35'
ptxas info : Function properties for _Z21repackTileListsKerneliiPKiS0_S0_PK8TileListPS1_PK15PatchPairRecordPS5_S0_PiPK8TileExclPSA_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 26 registers, 416 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z22buildTileListsBBKerneliP8TileListPK15CudaPatchRecordPKiffffiPK11BoundingBoxPiiPjS9_P15PatchPairRecordP12TileListStat' for 'sm_35'
ptxas info : Function properties for _Z22buildTileListsBBKerneliP8TileListPK15CudaPatchRecordPKiffffiPK11BoundingBoxPiiPjS9_P15PatchPairRecordP12TileListStat
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 46 registers, 432 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z24buildBoundingBoxesKerneliPK6float4P11BoundingBox' for 'sm_35'
ptxas info : Function properties for _Z24buildBoundingBoxesKerneliPK6float4P11BoundingBox
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 18 registers, 344 bytes cmem[0]
ptxas info : Compiling entry function '_Z12fillSortKeysiiPK4int2Pj' for 'sm_35'
ptxas info : Function properties for _Z12fillSortKeysiiPK4int2Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 18 registers, 344 bytes cmem[0], 4 bytes cmem[2]
ptxas info : Compiling entry function '_Z13buildSortKeysiiPK8TileListPKiPKjP4int2Pj' for 'sm_35'
ptxas info : Function properties for _Z13buildSortKeysiiPK8TileListPKiPKjP4int2Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z17initMinMaxListLeniiP4int2' for 'sm_35'
ptxas info : Function properties for _Z17initMinMaxListLeniiP4int2
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 8 registers, 336 bytes cmem[0]
ptxas info : Compiling entry function '_Z21bitshiftTileListDepthiiPKiPKjPj' for 'sm_35'
ptxas info : Function properties for _Z21bitshiftTileListDepthiiPKiPKjPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_Z14storeInReverseiiPKiS0_S0_PKjPiPj' for 'sm_35'
ptxas info : Function properties for _Z14storeInReverseiiPKiS0_S0_PKjPiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 12 registers, 376 bytes cmem[0]
ptxas info : Compiling entry function '_Z12setupSortKeyiiPK8TileListPKjiS3_Pj' for 'sm_35'
ptxas info : Function properties for _Z12setupSortKeyiiPK8TileListPKjiS3_Pj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 7 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z23buildRemoveZerosSortKeyiPKjiPj' for 'sm_35'
ptxas info : Function properties for _Z23buildRemoveZerosSortKeyiPKjiPj
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 7 registers, 352 bytes cmem[0]
ptxas info : Compiling entry function '_Z33setPatchNumLists_findEmptyPatchesiP8TileListPKiiPiS3_' for 'sm_35'
ptxas info : Function properties for _Z33setPatchNumLists_findEmptyPatchesiP8TileListPKiiPiS3_
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 10 registers, 368 bytes cmem[0]
ptxas info : Compiling entry function '_Z17calcPatchNumListsiiPK8TileListPi' for 'sm_35'
ptxas info : Function properties for _Z17calcPatchNumListsiiPK8TileListPi
0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
ptxas info : Used 8 registers, 344 bytes cmem[0]
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/main.o -c src/main.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/mainfunc.o -c src/mainfunc.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/BackEnd.o -c src/BackEnd.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/CollectionMaster.o -c src/CollectionMaster.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/CollectionMgr.o -c src/CollectionMgr.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/Node.o -c src/Node.C
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o psfgen obj/tcl_main.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -L.rootdir/tcl/lib -ltcl8.5 -ldl -lm
cc -Isb/src -Iplugins/include -DSTATIC_PLUGIN -DPSFGEN_USEPLUGINS -I.rootdir/tcl/include -DNAMD_TCL -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -o sortreplicas obj/sortreplicas.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o -lm
rm -f obj/buildinfo.C; echo 'const char *namd_build_date = ' \"`date`\"\; > obj/buildinfo.C; echo 'const char *namd_build_user = ' \"bwjenkins\"\; >> obj/buildinfo.C; echo 'const char *namd_build_machine = ' \"`hostname`\"\; >> obj/buildinfo.C; cat obj/buildinfo.C; CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/Debugger/include -I.rootdir/cub -DMEM_OPT_VERSION -DNAMD_VERSION=\"2.12b1\" -DNAMD_PLATFORM=\"CRAY-XE-ugni-smp-CUDA-memopt\" -DREMOVE_PROXYRESULTMSG_EXTRACOPY -DNODEAWARE_PROXY_SPANNINGTREE -DUSE_NODEPATCHMGR -DUSE_CKLOOP=1 -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -o obj/buildinfo.o -c obj/buildinfo.C
const char *namd_build_date = "Wed Jul 18 14:55:47 CDT 2018";
const char *namd_build_user = "bwjenkins";
const char *namd_build_machine = "h2ologin1";
.rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmc -verbose -ld++-option \
'-I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer' \
-module NeighborLB -module HybridLB -module RefineLB -module GreedyLB -module CkMulticast -module CkLoop -language charm++ \
obj/buildinfo.o \
obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o \
obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o \
-lcudart -lcufft -L/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/lib64 -L/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/lib64 -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -L/opt/cray/nvidia/default/lib64 -lcuda \
\
\
\
-L.rootdir/tcl/lib -ltcl8.5 -ldl \
\
-L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -lfftw3f \
obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o \
obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o \
\
\
-lm -o namd2
Verbose mode set
Adding file obj/buildinfo.o...
Adding file obj/ComputeMoa.o...
Adding file obj/ComputeMsm.o...
Adding file obj/ComputeMsmMsa.o...
Adding file obj/ComputeMsmSerial.o...
Adding file obj/ComputeFmmSerial.o...
Adding file obj/msm.o...
Adding file obj/msm_longrng.o...
Adding file obj/msm_longrng_sprec.o...
Adding file obj/msm_setup.o...
Adding file obj/msm_shortrng.o...
Adding file obj/msm_shortrng_sprec.o...
Adding file obj/wkfutils.o...
Adding file obj/common.o...
Adding file obj/dcdlib.o...
Adding file obj/eabf1D.o...
Adding file obj/eabf2D.o...
Adding file obj/eabffunc.o...
Adding file obj/eabfTcl.o...
Adding file obj/erf.o...
Adding file obj/fitrms.o...
Adding file obj/main.o...
Adding file obj/mainfunc.o...
Adding file obj/memusage.o...
Adding file obj/strlib.o...
Adding file obj/AlgSeven.o...
Adding file obj/AlgRecBisection.o...
Adding file obj/AlgNbor.o...
Adding file obj/AtomMap.o...
Adding file obj/BackEnd.o...
Adding file obj/BroadcastMgr.o...
Adding file obj/BroadcastClient.o...
Adding file obj/CollectionMaster.o...
Adding file obj/CollectionMgr.o...
Adding file obj/Communicate.o...
Adding file obj/Compute.o...
Adding file obj/ComputeAngles.o...
Adding file obj/ComputeAniso.o...
Adding file obj/ComputeBonds.o...
Adding file obj/ComputeConsForce.o...
Adding file obj/ComputeConsForceMsgs.o...
Adding file obj/ComputeCrossterms.o...
Adding file obj/ComputeCUDAMgr.o...
Adding file obj/ComputeCylindricalBC.o...
Adding file obj/ComputeDihedrals.o...
Adding file obj/ComputeDPME.o...
Adding file obj/ComputeDPMEMsgs.o...
Adding file obj/ComputeDPMTA.o...
Adding file obj/ComputeEField.o...
Adding file obj/ComputeEwald.o...
Adding file obj/ComputeExt.o...
Adding file obj/ComputeQM.o...
Adding file obj/ComputeGBISser.o...
Adding file obj/ComputeGBIS.o...
Adding file obj/ComputeGromacsPair.o...
Adding file obj/ComputeLCPO.o...
Adding file obj/ComputeFullDirect.o...
Adding file obj/ComputeHomePatch.o...
Adding file obj/ComputeHomePatches.o...
Adding file obj/ComputeImpropers.o...
Adding file obj/ComputeGlobal.o...
Adding file obj/ComputeGlobalMsgs.o...
Adding file obj/ComputeGridForce.o...
Adding file obj/ComputeMap.o...
Adding file obj/ComputeMgr.o...
Adding file obj/ComputeNonbondedSelf.o...
Adding file obj/ComputeNonbondedPair.o...
Adding file obj/ComputeNonbondedUtil.o...
Adding file obj/ComputeNonbondedStd.o...
Adding file obj/ComputeNonbondedFEP.o...
Adding file obj/ComputeNonbondedGo.o...
Adding file obj/ComputeNonbondedTI.o...
Adding file obj/ComputeNonbondedLES.o...
Adding file obj/ComputeNonbondedPProf.o...
Adding file obj/ComputeNonbondedTabEnergies.o...
Adding file obj/ComputeNonbondedCUDA.o...
Adding file obj/ComputeNonbondedCUDAExcl.o...
Adding file obj/ComputeNonbondedMIC.o...
Adding file obj/ComputeNonbondedMICKernel.o...
Adding file obj/ComputePatch.o...
Adding file obj/ComputePatchPair.o...
Adding file obj/ComputePme.o...
Adding file obj/ComputePmeCUDA.o...
Adding file obj/ComputePmeCUDAMgr.o...
Adding file obj/OptPme.o...
Adding file obj/OptPmeRealSpace.o...
Adding file obj/ComputeRestraints.o...
Adding file obj/ComputeSphericalBC.o...
Adding file obj/ComputeStir.o...
Adding file obj/ComputeTclBC.o...
Adding file obj/ComputeThole.o...
Adding file obj/ConfigList.o...
Adding file obj/Controller.o...
Adding file obj/CudaComputeNonbonded.o...
Adding file obj/CudaPmeSolver.o...
Adding file obj/CudaPmeSolverUtil.o...
Adding file obj/CudaUtils.o...
Adding file obj/ccsinterface.o...
Adding file obj/DataStream.o...
Adding file obj/DeviceCUDA.o...
Adding file obj/DumpBench.o...
Adding file obj/FreeEnergyAssert.o...
Adding file obj/FreeEnergyGroup.o...
Adding file obj/FreeEnergyLambda.o...
Adding file obj/FreeEnergyLambdMgr.o...
Adding file obj/FreeEnergyParse.o...
Adding file obj/FreeEnergyRestrain.o...
Adding file obj/FreeEnergyRMgr.o...
Adding file obj/FreeEnergyVector.o...
Adding file obj/fstream_namd.o...
Adding file obj/GlobalMaster.o...
Adding file obj/GlobalMasterServer.o...
Adding file obj/GlobalMasterTest.o...
Adding file obj/GlobalMasterIMD.o...
Adding file obj/GlobalMasterTcl.o...
Adding file obj/GlobalMasterSMD.o...
Adding file obj/GlobalMasterTMD.o...
Adding file obj/Matrix4Symmetry.o...
Adding file obj/GlobalMasterSymmetry.o...
Adding file obj/GlobalMasterFreeEnergy.o...
Adding file obj/GlobalMasterEasy.o...
Adding file obj/GlobalMasterMisc.o...
Adding file obj/colvar.o...
Adding file obj/colvaratoms.o...
Adding file obj/colvarbias.o...
Adding file obj/colvarbias_abf.o...
Adding file obj/colvarbias_alb.o...
Adding file obj/colvarbias_histogram.o...
Adding file obj/colvarbias_meta.o...
Adding file obj/colvarbias_restraint.o...
Adding file obj/colvarcomp.o...
Adding file obj/colvarcomp_angles.o...
Adding file obj/colvarcomp_coordnums.o...
Adding file obj/colvarcomp_distances.o...
Adding file obj/colvarcomp_protein.o...
Adding file obj/colvarcomp_rotations.o...
Adding file obj/colvardeps.o...
Adding file obj/colvargrid.o...
Adding file obj/colvarmodule.o...
Adding file obj/colvarparse.o...
Adding file obj/colvarproxy_namd.o...
Adding file obj/colvarscript.o...
Adding file obj/colvartypes.o...
Adding file obj/colvarvalue.o...
Adding file obj/GridForceGrid.o...
Adding file obj/GromacsTopFile.o...
Adding file obj/heap.o...
Adding file obj/HomePatch.o...
Adding file obj/IMDOutput.o...
Adding file obj/InfoStream.o...
Adding file obj/LdbCoordinator.o...
Adding file obj/LJTable.o...
Adding file obj/Measure.o...
Adding file obj/MGridforceParams.o...
Adding file obj/MStream.o...
Adding file obj/MigrateAtomsMsg.o...
Adding file obj/Molecule.o...
Adding file obj/Molecule2.o...
Adding file obj/GoMolecule.o...
Adding file obj/MoleculeQM.o...
Adding file obj/NamdCentLB.o...
Adding file obj/NamdNborLB.o...
Adding file obj/NamdHybridLB.o...
Adding file obj/NamdDummyLB.o...
Adding file obj/NamdState.o...
Adding file obj/NamdOneTools.o...
Adding file obj/Node.o...
Adding file obj/Output.o...
Adding file obj/Parameters.o...
Adding file obj/ParseOptions.o...
Adding file obj/Patch.o...
Adding file obj/PatchMgr.o...
Adding file obj/PatchMap.o...
Adding file obj/PDB.o...
Adding file obj/PDBData.o...
Adding file obj/PmeKSpace.o...
Adding file obj/PmeRealSpace.o...
Adding file obj/PmeSolver.o...
Adding file obj/ProcessorPrivate.o...
Adding file obj/ProxyMgr.o...
Adding file obj/ProxyPatch.o...
Adding file obj/Rebalancer.o...
Adding file obj/RecBisection.o...
Adding file obj/ReductionMgr.o...
Adding file obj/RefineOnly.o...
Adding file obj/RefineTorusLB.o...
Adding file obj/ScriptTcl.o...
Adding file obj/Sequencer.o...
Adding file obj/Set.o...
Adding file obj/Settle.o...
Adding file obj/SimParameters.o...
Adding file obj/SortAtoms.o...
Adding file obj/Sync.o...
Adding file obj/TclCommands.o...
Adding file obj/TorusLB.o...
Adding file obj/WorkDistrib.o...
Adding file obj/pub3dfft.o...
Adding file obj/vmdsock.o...
Adding file obj/parm.o...
Adding file obj/imd.o...
Adding file obj/CompressPsf.o...
Adding file obj/PluginIOMgr.o...
Adding file obj/DataExchanger.o...
Adding file obj/ParallelIOMgr.o...
Adding file obj/ComputeNonbondedCUDAKernel.o...
Adding file obj/ComputePmeCUDAKernel.o...
Adding file obj/CudaComputeGBISKernel.o...
Adding file obj/CudaComputeNonbondedKernel.o...
Adding file obj/CudaPmeSolverUtilKernel.o...
Adding file obj/CudaTileListKernel.o...
Adding file obj/DeviceCUDAkernel.o...
Adding file obj/dcdplugin.o...
Adding file obj/jsplugin.o...
Adding file obj/namdbinplugin.o...
Adding file obj/pdbplugin.o...
Adding file obj/psfplugin.o...
Adding file obj/tcl_psfgen.o...
Adding file obj/charmm_file.o...
Adding file obj/charmm_parse_topo_defs.o...
Adding file obj/extract_alias.o...
Adding file obj/hash.o...
Adding file obj/hasharray.o...
Adding file obj/memarena.o...
Adding file obj/pdb_file.o...
Adding file obj/pdb_file_extract.o...
Adding file obj/psf_file.o...
Adding file obj/psf_file_extract.o...
Adding file obj/topo_defs.o...
Adding file obj/topo_mol.o...
Adding file obj/topo_mol_output.o...
Adding file obj/topo_mol_pluginio.o...
Adding file obj/stringhash.o...
OpenMP support not enabled
charmc> ----------- Module dependency search ------------
charmc> ----------- Module dependency search complete ------------
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -D__CHARMC__=1 -DCMK_OPTIMIZE=1 -Iinc -Isrc -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -U_FORTIFY_SOURCE -std=c++0x -c moduleinit43933.C -o moduleinit43933.o
Adding registration for module NeighborLB
Adding registration for module HybridLB
Adding registration for module RefineLB
Adding registration for module GreedyLB
Adding registration for module CkMulticast
Adding registration for module CkLoop
charmc: Executing CC -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include -I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include -D_REENTRANT -rdynamic -O3 -ffast-math -fexpensive-optimizations -fomit-frame-pointer -L/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/lib64 -L/opt/nvidia/cudatoolkit9.1/9.1.85_3.10-1.0502.df1cc54.3.1/extras/CUPTI/lib64 -L/opt/cray/nvidia/default/lib64 -L.rootdir/tcl/lib -L/opt/cray/fftw/3.3.4.10/interlagos/lib/lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -o namd2 -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit43933.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc> All libraries are: -L.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../lib -I.rootdir/charm-6.7.1/gni-crayxe-smp/bin/../include obj/buildinfo.o obj/ComputeMoa.o obj/ComputeMsm.o obj/ComputeMsmMsa.o obj/ComputeMsmSerial.o obj/ComputeFmmSerial.o obj/msm.o obj/msm_longrng.o obj/msm_longrng_sprec.o obj/msm_setup.o obj/msm_shortrng.o obj/msm_shortrng_sprec.o obj/wkfutils.o obj/common.o obj/dcdlib.o obj/eabf1D.o obj/eabf2D.o obj/eabffunc.o obj/eabfTcl.o obj/erf.o obj/fitrms.o obj/main.o obj/mainfunc.o obj/memusage.o obj/strlib.o obj/AlgSeven.o obj/AlgRecBisection.o obj/AlgNbor.o obj/AtomMap.o obj/BackEnd.o obj/BroadcastMgr.o obj/BroadcastClient.o obj/CollectionMaster.o obj/CollectionMgr.o obj/Communicate.o obj/Compute.o obj/ComputeAngles.o obj/ComputeAniso.o obj/ComputeBonds.o obj/ComputeConsForce.o obj/ComputeConsForceMsgs.o obj/ComputeCrossterms.o obj/ComputeCUDAMgr.o obj/ComputeCylindricalBC.o obj/ComputeDihedrals.o obj/ComputeDPME.o obj/ComputeDPMEMsgs.o obj/ComputeDPMTA.o obj/ComputeEField.o obj/ComputeEwald.o obj/ComputeExt.o obj/ComputeQM.o obj/ComputeGBISser.o obj/ComputeGBIS.o obj/ComputeGromacsPair.o obj/ComputeLCPO.o obj/ComputeFullDirect.o obj/ComputeHomePatch.o obj/ComputeHomePatches.o obj/ComputeImpropers.o obj/ComputeGlobal.o obj/ComputeGlobalMsgs.o obj/ComputeGridForce.o obj/ComputeMap.o obj/ComputeMgr.o obj/ComputeNonbondedSelf.o obj/ComputeNonbondedPair.o obj/ComputeNonbondedUtil.o obj/ComputeNonbondedStd.o obj/ComputeNonbondedFEP.o obj/ComputeNonbondedGo.o obj/ComputeNonbondedTI.o obj/ComputeNonbondedLES.o obj/ComputeNonbondedPProf.o obj/ComputeNonbondedTabEnergies.o obj/ComputeNonbondedCUDA.o obj/ComputeNonbondedCUDAExcl.o obj/ComputeNonbondedMIC.o obj/ComputeNonbondedMICKernel.o obj/ComputePatch.o obj/ComputePatchPair.o obj/ComputePme.o obj/ComputePmeCUDA.o obj/ComputePmeCUDAMgr.o obj/OptPme.o obj/OptPmeRealSpace.o obj/ComputeRestraints.o obj/ComputeSphericalBC.o obj/ComputeStir.o obj/ComputeTclBC.o obj/ComputeThole.o obj/ConfigList.o obj/Controller.o obj/CudaComputeNonbonded.o obj/CudaPmeSolver.o obj/CudaPmeSolverUtil.o obj/CudaUtils.o obj/ccsinterface.o obj/DataStream.o obj/DeviceCUDA.o obj/DumpBench.o obj/FreeEnergyAssert.o obj/FreeEnergyGroup.o obj/FreeEnergyLambda.o obj/FreeEnergyLambdMgr.o obj/FreeEnergyParse.o obj/FreeEnergyRestrain.o obj/FreeEnergyRMgr.o obj/FreeEnergyVector.o obj/fstream_namd.o obj/GlobalMaster.o obj/GlobalMasterServer.o obj/GlobalMasterTest.o obj/GlobalMasterIMD.o obj/GlobalMasterTcl.o obj/GlobalMasterSMD.o obj/GlobalMasterTMD.o obj/Matrix4Symmetry.o obj/GlobalMasterSymmetry.o obj/GlobalMasterFreeEnergy.o obj/GlobalMasterEasy.o obj/GlobalMasterMisc.o obj/colvar.o obj/colvaratoms.o obj/colvarbias.o obj/colvarbias_abf.o obj/colvarbias_alb.o obj/colvarbias_histogram.o obj/colvarbias_meta.o obj/colvarbias_restraint.o obj/colvarcomp.o obj/colvarcomp_angles.o obj/colvarcomp_coordnums.o obj/colvarcomp_distances.o obj/colvarcomp_protein.o obj/colvarcomp_rotations.o obj/colvardeps.o obj/colvargrid.o obj/colvarmodule.o obj/colvarparse.o obj/colvarproxy_namd.o obj/colvarscript.o obj/colvartypes.o obj/colvarvalue.o obj/GridForceGrid.o obj/GromacsTopFile.o obj/heap.o obj/HomePatch.o obj/IMDOutput.o obj/InfoStream.o obj/LdbCoordinator.o obj/LJTable.o obj/Measure.o obj/MGridforceParams.o obj/MStream.o obj/MigrateAtomsMsg.o obj/Molecule.o obj/Molecule2.o obj/GoMolecule.o obj/MoleculeQM.o obj/NamdCentLB.o obj/NamdNborLB.o obj/NamdHybridLB.o obj/NamdDummyLB.o obj/NamdState.o obj/NamdOneTools.o obj/Node.o obj/Output.o obj/Parameters.o obj/ParseOptions.o obj/Patch.o obj/PatchMgr.o obj/PatchMap.o obj/PDB.o obj/PDBData.o obj/PmeKSpace.o obj/PmeRealSpace.o obj/PmeSolver.o obj/ProcessorPrivate.o obj/ProxyMgr.o obj/ProxyPatch.o obj/Rebalancer.o obj/RecBisection.o obj/ReductionMgr.o obj/RefineOnly.o obj/RefineTorusLB.o obj/ScriptTcl.o obj/Sequencer.o obj/Set.o obj/Settle.o obj/SimParameters.o obj/SortAtoms.o obj/Sync.o obj/TclCommands.o obj/TorusLB.o obj/WorkDistrib.o obj/pub3dfft.o obj/vmdsock.o obj/parm.o obj/imd.o obj/CompressPsf.o obj/PluginIOMgr.o obj/DataExchanger.o obj/ParallelIOMgr.o obj/ComputeNonbondedCUDAKernel.o obj/ComputePmeCUDAKernel.o obj/CudaComputeGBISKernel.o obj/CudaComputeNonbondedKernel.o obj/CudaPmeSolverUtilKernel.o obj/CudaTileListKernel.o obj/DeviceCUDAkernel.o obj/dcdplugin.o obj/jsplugin.o obj/namdbinplugin.o obj/pdbplugin.o obj/psfplugin.o obj/tcl_psfgen.o obj/charmm_file.o obj/charmm_parse_topo_defs.o obj/extract_alias.o obj/hash.o obj/hasharray.o obj/memarena.o obj/pdb_file.o obj/pdb_file_extract.o obj/psf_file.o obj/psf_file_extract.o obj/topo_defs.o obj/topo_mol.o obj/topo_mol_output.o obj/topo_mol_pluginio.o obj/stringhash.o moduleinit43933.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc: Executing rm -f charmrun
charmc: Executing cp -p .rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmrun charmrun
rm -f moduleinit43933.C moduleinit43933.o
/mnt/a/u/system/bwjenkins/namd-spp/namd-spp-1.0
1 #!/bin/bash
2 #PBS -V
3 #PBS -j oe
4 #PBS -o $PBS_JOBID/pbs.out
5 #PBS -N NAMD
6 #PBS -l walltime=1:00:00
7 #PBS -l nodes=100:ppn=32:xe
8 ##PBS -q debug
9
10 cd $PBS_O_WORKDIR
11
12 mkdir $PBS_JOBID
13 cd $PBS_JOBID
14
15 execfile=$PBS_O_WORKDIR/namd2-cpu
16 inputfile=$PBS_O_WORKDIR/chromat100/chromat100-bench.namd
17 logfile=$PBS_JOBID
18
19 export NAMDNSTEPS=2000
20 export NAMDOUTDIR="${PBS_O_WORKDIR}/${PBS_JOBID}"
21
22 source ${MODULESHOME}/init/bash
23 module swap PrgEnv-cray PrgEnv-gnu
24 module load rca
25 module load craype-hugepages8M
26 module list
27
28 export HUGETLB_DEFAULT_PAGE_SIZE=8M
29 export HUGETLB_MORECORE=no
30 export ATP_ENABLED=1
31 ulimit -c unlimited
32
33 export APRUN_BALANCED_INJECTION=32
34
35 sleep 60
36 echo Starting at `date`
37
38 aprun -n 400 -N 4 -d 8 $execfile +ppn 7 +pemap 1-7,9-15,17-23,25-31 +commap 0,8,16,24 $inputfile >& $logfile
39
40 echo Ending at `date`
41 sleep 60
42
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: Job submitted to account: jnc
MYJOBID=8836450.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
Wed Jul 18 14:56:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:01:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:06:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:11:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:16:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:21:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:26:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:31:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:36:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:41:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:46:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:51:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 15:56:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 16:01:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 16:06:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 16:11:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 16:16:12 CDT 2018: waiting for 8836450.bw to finish
Wed Jul 18 16:21:13 CDT 2018: waiting for 8836450.bw to finish
qstat: Unknown Job Id Error 8836450.bw
8836450.bw finished
Info: ENERGY OUTPUT STEPS 200
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
Info: INCONSISTENCY IN FAST TABLE ENERGY VS FORCE: 0.000325096 AT 11.9556
Info: INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE: 0.000324844 AT 11.9556
Info: INCONSISTENCY IN VDWA TABLE ENERGY VS FORCE: 0.0040507 AT 0.251946
Info: INCONSISTENCY IN VDWB TABLE ENERGY VS FORCE: 0.00150189 AT 0.251946
ENERGY: 0 862368.3646 20606396.3109 1749214.6220 152022.8999 -370808357.2701 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7987 296.9741 -312942286.0156 -243190413.0882 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 876304.7239 20901266.4925 1750170.5036 153615.9667 -370519572.5760 34392006.2146 0.0000 0.0000 68905044.9832 -243541163.6915 295.6710 -312446208.6747 -242989014.5658 295.6180 -132.1494 -17.3458 979840287.6795 0.8348 0.8387
ENERGY: 400 877649.5035 20929482.3966 1749869.6721 153326.7541 -370498851.5457 34403116.1318 0.0000 0.0000 68952512.8158 -243432894.2719 295.8747 -312385407.0877 -242878196.4131 295.8505 -125.1129 -10.4921 979780907.3246 1.3107 1.3037
ENERGY: 600 877184.5139 20950423.6986 1751610.3033 153823.1712 -370506930.9415 34419287.5382 0.0000 0.0000 68981678.0531 -243372923.6632 295.9999 -312354601.7163 -242816469.6693 295.9908 -115.5704 -1.0035 979749908.1290 1.1332 1.1417
ENERGY: 800 875338.6150 20962634.7936 1750557.4623 153202.8103 -370573758.2509 34506158.2539 0.0000 0.0000 69005118.5547 -243320747.7611 296.1005 -312325866.3158 -242764709.1167 296.0871 -77.4170 37.3355 979541520.8411 0.8240 0.8158
ENERGY: 1000 875956.8137 20974282.7634 1750162.0766 153177.9099 -370465785.2238 34430159.8750 0.0000 0.0000 69004024.2705 -243278021.5147 296.0958 -312282045.7851 -242721295.0249 296.1500 -101.0925 13.6350 979751152.3511 0.7003 0.7046
ENERGY: 1200 877801.3241 20984804.5438 1748936.6509 153723.9898 -370399093.9940 34382996.5815 0.0000 0.0000 69028194.0331 -243222636.8707 296.1995 -312250830.9038 -242665298.0547 296.2288 -123.3122 -8.7441 979872473.4977 1.1972 1.2060
ENERGY: 1400 876469.0503 20993160.6707 1751001.7727 153329.1809 -370442121.1714 34431346.4944 0.0000 0.0000 69049130.6209 -243187683.3816 296.2893 -312236814.0024 -242629621.6837 296.3162 -100.9761 13.7957 979754726.5813 1.1431 1.1427
ENERGY: 1600 876705.7414 20991403.4572 1751156.7567 153478.6260 -370404847.9666 34409439.9894 0.0000 0.0000 69059153.2835 -243163510.1123 296.3323 -312222663.3959 -242605491.0436 296.3551 -110.2630 4.6342 979840336.6679 0.8576 0.8633
ENERGY: 1800 877648.9477 20990740.4725 1750384.7229 153058.5589 -370393309.1495 34404360.0545 0.0000 0.0000 69059341.7076 -243157774.6855 296.3331 -312217116.3931 -242599657.0695 296.3955 -109.5630 5.6799 979776323.2995 0.8634 0.8701
ENERGY: 2000 877419.1973 20997974.6953 1750011.8886 153360.0045 -370411391.6952 34427620.7408 0.0000 0.0000 69067406.7885 -243137598.3802 296.3677 -312205005.1687 -242578547.7618 296.4140 -103.9797 10.7550 979808151.2517 0.9908 0.9946
1 YVALUE= 1417.898682
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins1741134485243099617.sh
+ rm -rf /var/lib/jenkins/workspace/namd-spp/wallclock.txt
+ scp 'BW_REMOTE:~/namd-spp/wallclock.txt' /var/lib/jenkins/workspace/namd-spp
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Blue Waters Admin Team
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/namd-spp/wallclock.txt
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
