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/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/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/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/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).")
src/CudaComputeNonbondedKernel.cu(352): 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).")
src/CudaComputeNonbondedKernel.cu(407): 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(408): 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(409): 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(426): 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(427): 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(428): 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(498): 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(499): 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(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
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
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/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/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/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/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).")
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 : 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
/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/CudaPmeSolverUtilKernel.o -c `echo src/`CudaPmeSolverUtilKernel.cu
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
/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
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]
.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).")
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
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]
.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
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 -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
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
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);
^
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
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
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
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 -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
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/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/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 = "Mon Oct 15 22:54:59 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 moduleinit58214.C -o moduleinit58214.o
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 moduleinit58214.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
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> 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 moduleinit58214.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 moduleinit58214.C moduleinit58214.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=9107469.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
Mon Oct 15 22:55:20 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:00:20 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:05:20 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:10:20 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:15:20 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:20:21 CDT 2018: waiting for 9107469.bw to finish
Mon Oct 15 23:25:21 CDT 2018: waiting for 9107469.bw to finish
qstat: Unknown Job Id Error 9107469.bw
9107469.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 -370808357.2713 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7999 296.9741 -312942286.0168 -243190413.0894 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 875833.3459 20899275.6811 1750819.3718 153289.6902 -370533320.9480 34401601.3924 0.0000 0.0000 68910698.8754 -243541802.5911 295.6953 -312452501.4666 -242989498.6663 295.6253 -129.5536 -14.9766 979766446.7531 0.8836 0.8816
ENERGY: 400 876517.9107 20924749.4223 1750842.1725 153127.1458 -370531720.7405 34432938.3636 0.0000 0.0000 68952927.0073 -243440618.7183 295.8765 -312393545.7255 -242886449.0195 295.8200 -113.5792 1.4710 979729551.0641 1.1924 1.1898
ENERGY: 600 877315.8172 20944215.0260 1750917.9284 153313.1079 -370506377.7095 34432427.6277 0.0000 0.0000 68974580.8710 -243373607.3313 295.9694 -312348188.2023 -242817725.4545 295.9793 -109.7858 4.9954 979755436.2106 1.1793 1.1692
ENERGY: 800 875550.7721 20965196.2736 1751161.7583 153041.9163 -370564512.8482 34508560.9917 0.0000 0.0000 69008293.9206 -243302707.2157 296.1141 -312311001.1362 -242746746.4386 296.0926 -70.1872 44.3799 979535161.4391 0.8010 0.7980
ENERGY: 1000 876382.4616 20973802.3046 1749935.4711 153853.5220 -370471767.7072 34440653.7588 0.0000 0.0000 69017008.1824 -243260132.0067 296.1515 -312277140.1890 -242703136.9543 296.1960 -96.3310 18.7451 979725706.5944 0.5826 0.5883
ENERGY: 1200 880449.4821 20973855.9190 1751510.0674 153393.4145 -370345091.1551 34328350.3332 0.0000 0.0000 69027908.8194 -243229623.1194 296.1982 -312257531.9389 -242671811.2319 296.2360 -150.5989 -35.9614 980000263.1831 1.2606 1.2585
ENERGY: 1400 878266.6320 20990227.0160 1750904.8949 153291.7405 -370447005.6413 34427434.6531 0.0000 0.0000 69040351.6777 -243206529.0272 296.2516 -312246880.7048 -242648285.1727 296.2836 -106.9614 7.9277 979815751.1666 1.5130 1.5046
ENERGY: 1600 875287.4657 21000361.1009 1750560.0483 152944.5343 -370435265.8472 34428858.5413 0.0000 0.0000 69048826.8512 -243178427.3054 296.2880 -312227254.1567 -242619988.7219 296.3429 -103.1190 11.8004 979853222.9338 0.7919 0.7974
ENERGY: 1800 878667.9297 21007223.7073 1749678.8030 153395.4588 -370428179.4564 34419745.6585 0.0000 0.0000 69064165.7262 -243155302.1728 296.3538 -312219467.8990 -242596794.8668 296.3679 -108.9377 5.4967 979894928.2697 0.7099 0.7151
ENERGY: 2000 877664.8036 21003763.8280 1750437.5226 153476.7453 -370362106.8625 34366721.4087 0.0000 0.0000 69066705.8881 -243143336.6662 296.3647 -312210042.5542 -242585355.5363 296.3848 -123.0284 -8.6328 979960651.1513 1.0402 1.0395
1 YVALUE= 1417.757446
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins5438748949509112133.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}
