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Full LogCC -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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeExt.o -c src/ComputeExt.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeQM.o -c src/ComputeQM.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeGBISser.o -c src/ComputeGBISser.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeGromacsPair.o -c src/ComputeGromacsPair.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeLCPO.o -c src/ComputeLCPO.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeFullDirect.o -c src/ComputeFullDirect.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeHomePatch.o -c src/ComputeHomePatch.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeHomePatches.o -c src/ComputeHomePatches.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeImpropers.o -c src/ComputeImpropers.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeGlobal.o -c src/ComputeGlobal.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeGlobalMsgs.o -c src/ComputeGlobalMsgs.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeGridForce.o -c src/ComputeGridForce.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeMgr.o -c src/ComputeMgr.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedSelf.o -c src/ComputeNonbondedSelf.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedPair.o -c src/ComputeNonbondedPair.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedUtil.o -c src/ComputeNonbondedUtil.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedCUDA.o -c src/ComputeNonbondedCUDA.C
In file included from src/ComputeNonbondedCUDA.C:13:0:
src/ComputeNonbondedCUDAKernel.h:8:17: warning: extra tokens at end of #undef directive
#undef __align__(X)
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedCUDAExcl.o -c src/ComputeNonbondedCUDAExcl.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeNonbondedMIC.o -c src/ComputeNonbondedMIC.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputePatch.o -c src/ComputePatch.C
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from src/ComputePmeCUDA.h:12,
from src/ComputeMgr.C:57:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDA.h:12:0,
from src/ComputeMgr.C:57:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from src/DataExchanger.h:12:0,
from src/colvarproxy_namd.h:24,
from src/GlobalMasterColvars.h:7,
from src/ComputeMgr.C:98:
inc/DataExchanger.decl.h:863:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/DataExchanger.h:61:5: note: in expansion of macro 'DataExchanger_SDAG_CODE'
DataExchanger_SDAG_CODE;
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputePatchPair.o -c src/ComputePatchPair.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputePme.o -c src/ComputePme.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputePmeCUDA.o -c src/ComputePmeCUDA.C
In file included from src/ComputePme.C:76:0:
src/ComputePmeCUDAKernel.h:4:17: warning: extra tokens at end of #undef directive
#undef __align__(X)
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputePmeCUDAMgr.o -c src/ComputePmeCUDAMgr.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/OptPme.o -c src/OptPme.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeRestraints.o -c src/ComputeRestraints.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeSphericalBC.o -c src/ComputeSphericalBC.C
In file included from src/ComputePme.C:36:0:
inc/ComputePmeMgr.decl.h:1731:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePme.C:4600:5: note: in expansion of macro 'PmeYPencil_SDAG_CODE'
PmeYPencil_SDAG_CODE
^
inc/ComputePmeMgr.decl.h:2219:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePme.C:4663:5: note: in expansion of macro 'PmeXPencil_SDAG_CODE'
PmeXPencil_SDAG_CODE
^
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/ComputePmeCUDAMgr.C:14:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from src/ComputePmeCUDA.h:12,
from src/ComputePmeCUDA.C:10:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDA.h:12:0,
from src/ComputePmeCUDA.C:10:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/ComputePmeCUDAMgr.C:14:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from inc/ComputePmeCUDAMgr.decl.h:7:0,
from src/ComputePmeCUDAMgr.h:9,
from src/ComputePmeCUDAMgr.C:14:
inc/CudaPmeSolver.decl.h:1258:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:86:2: note: in expansion of macro 'CudaPmePencilXY_SDAG_CODE'
CudaPmePencilXY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:1911:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:114:2: note: in expansion of macro 'CudaPmePencilX_SDAG_CODE'
CudaPmePencilX_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:2715:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:142:2: note: in expansion of macro 'CudaPmePencilY_SDAG_CODE'
CudaPmePencilY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:3517:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:177:2: note: in expansion of macro 'CudaPmePencilZ_SDAG_CODE'
CudaPmePencilZ_SDAG_CODE
^
In file included from inc/OptPmeMgr.decl.h:7:0,
from src/OptPme.h:21,
from src/OptPme.C:28:
inc/PmeFFTLib.decl.h:1442:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/fftlib.h:144:5: note: in expansion of macro 'OptPmeYPencil_SDAG_CODE'
OptPmeYPencil_SDAG_CODE
^
inc/PmeFFTLib.decl.h:2048:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/fftlib.h:174:5: note: in expansion of macro 'OptPmeXPencil_SDAG_CODE'
OptPmeXPencil_SDAG_CODE
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeStir.o -c src/ComputeStir.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeTclBC.o -c src/ComputeTclBC.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ComputeThole.o -c src/ComputeThole.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Controller.o -c src/Controller.C
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_wrapmode(ClientData, Tcl_Interp*, int, char**)':
src/ComputeTclBC.C:145:21: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
TCL_VOLATILE);
^
src/ComputeTclBC.C:156:21: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_cleardrops(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:166:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_dropatom(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:179:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:184:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_nextatom(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:196:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcoord(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:236:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:241:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcell(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:272:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getmass(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:315:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:320:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getcharge(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:332:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:337:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_getid(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:349:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:354:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_addforce(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:366:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:378:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"force not a vector",TCL_VOLATILE);
^
src/ComputeTclBC.C:384:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no atom available",TCL_VOLATILE);
^
src/ComputeTclBC.C: In static member function 'static int ComputeTclBC::Tcl_addenergy(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/ComputeTclBC.C:398:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ComputeTclBC.C:404:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"energy not a number",TCL_VOLATILE);
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/CudaComputeNonbonded.o -c src/CudaComputeNonbonded.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/CudaPmeSolver.o -c src/CudaPmeSolver.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/DeviceCUDA.o -c src/DeviceCUDA.C
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/CudaPmeSolver.C:5:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/CudaPmeSolver.C:5:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
In file included from inc/ComputePmeCUDAMgr.decl.h:7:0,
from src/ComputePmeCUDAMgr.h:9,
from src/CudaPmeSolver.C:5:
inc/CudaPmeSolver.decl.h:1258:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:86:2: note: in expansion of macro 'CudaPmePencilXY_SDAG_CODE'
CudaPmePencilXY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:1911:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:114:2: note: in expansion of macro 'CudaPmePencilX_SDAG_CODE'
CudaPmePencilX_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:2715:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:142:2: note: in expansion of macro 'CudaPmePencilY_SDAG_CODE'
CudaPmePencilY_SDAG_CODE
^
inc/CudaPmeSolver.decl.h:3517:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/CudaPmeSolver.h:177:2: note: in expansion of macro 'CudaPmePencilZ_SDAG_CODE'
CudaPmePencilZ_SDAG_CODE
^
In file included from src/PmeSolver.h:7:0,
from src/ComputePmeCUDAMgr.h:7,
from src/CudaComputeNonbonded.C:18:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from src/ComputePmeCUDAMgr.h:9:0,
from src/CudaComputeNonbonded.C:18:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/DumpBench.o -c src/DumpBench.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMaster.o -c src/GlobalMaster.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterServer.o -c src/GlobalMasterServer.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterIMD.o -c src/GlobalMasterIMD.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterTcl.o -c src/GlobalMasterTcl.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterSMD.o -c src/GlobalMasterSMD.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterTMD.o -c src/GlobalMasterTMD.C
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_atomid(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:44:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:58:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"atom not found",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addatom(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:74:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addgroup(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:100:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_reconfig(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:150:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_clearconfig(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:163:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_getstep(ClientData, Tcl_Interp*, int, char**)':
src/GlobalMasterTcl.C:176:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:190:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_enabletotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:261:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_disabletotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:274:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadtotalforces(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:289:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
{ Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:296:91: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"must call enabletotalforces before loadtotalforces",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadcoords(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:361:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_loadmasses(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:419:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C: In static member function 'static int GlobalMasterTcl::Tcl_addforce(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/GlobalMasterTcl.C:464:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:483:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"force not a vector",TCL_VOLATILE);
^
src/GlobalMasterTcl.C:491:72: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"requested group not available",TCL_VOLATILE);
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterSymmetry.o -c src/GlobalMasterSymmetry.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterFreeEnergy.o -c src/GlobalMasterFreeEnergy.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterEasy.o -c src/GlobalMasterEasy.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GlobalMasterMisc.o -c src/GlobalMasterMisc.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/colvarproxy_namd.o -c src/colvarproxy_namd.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GridForceGrid.o -c src/GridForceGrid.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/HomePatch.o -c src/HomePatch.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/LdbCoordinator.o -c src/LdbCoordinator.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/LJTable.o -c src/LJTable.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Measure.o -c src/Measure.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/MigrateAtomsMsg.o -c src/MigrateAtomsMsg.C
src/Measure.C: In function 'int Tcl_loadCoords(ClientData, Tcl_Interp*, int, Tcl_Obj* const*)':
src/Measure.C:114:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"loadCoords: wrong # args",TCL_VOLATILE);
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Molecule.o -c src/Molecule.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Molecule2.o -c src/Molecule2.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/GoMolecule.o -c src/GoMolecule.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/MoleculeQM.o -c src/MoleculeQM.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/NamdCentLB.o -c src/NamdCentLB.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/NamdNborLB.o -c src/NamdNborLB.C
src/Molecule.C: In member function 'void Molecule::read_mol_signatures(char*, Parameters*, ConfigList*)':
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
char *tmpstr[]={"RIGID_NONE", "RIGID_ALL", "RIGID_WATER"};
^
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
src/Molecule.C:4599:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/NamdHybridLB.o -c src/NamdHybridLB.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/NamdDummyLB.o -c src/NamdDummyLB.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/NamdState.o -c src/NamdState.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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 -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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Output.o -c src/Output.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/Patch.o -c src/Patch.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/PatchMgr.o -c src/PatchMgr.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/PatchMap.o -c src/PatchMap.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/PmeKSpace.o -c src/PmeKSpace.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ProxyPatch.o -c src/ProxyPatch.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/ScriptTcl.o -c src/ScriptTcl.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/WorkDistrib.o -c src/WorkDistrib.C
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_python(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:356:57: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"python not enabled",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_startup(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:365:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numPes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:405:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numNodes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:414:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numPhysicalNodes(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:423:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_numReplicas(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:432:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_myReplica(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:441:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaEval(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:461:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: dest script",TCL_VOLATILE);
^
src/ScriptTcl.C:450:63: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"negative replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:465:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(dest);
^
src/ScriptTcl.C:454:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"non-existent replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:465:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(dest);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaYield(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:485:56: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: ?seconds?",TCL_VOLATILE);
^
src/ScriptTcl.C:491:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: ?seconds?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaSendrecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:507:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: data dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaSend(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:536:56: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: data dest",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaRecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:549:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: source",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaBarrier(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:570:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"no arguments needed",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomSendrecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:583:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:587:75: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:592:70: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad dest; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:598:74: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad source; args: dest ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomSend(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:641:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:645:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: dest",TCL_VOLATILE);
^
src/ScriptTcl.C:650:61: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad dest; args: dest",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaAtomRecv(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:678:95: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for atom exchange",TCL_VOLATILE);
^
src/ScriptTcl.C:682:70: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad arg count; args: ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C:688:69: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bad source; args: ?source?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_stdout(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:725:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:801:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C:816:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"error parsing config file",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:826:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_config(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:853:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:861:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:866:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_istrue_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:876:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:884:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:888:65: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter is not boolean",TCL_VOLATILE);
^
src/ScriptTcl.C:892:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value is not set",TCL_VOLATILE);
^
src/ScriptTcl.C:896:64: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"bug in Tcl_istrue_param",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_isset_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:906:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:914:58: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_param(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:924:79: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:930:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter name too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:942:86: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter unknown for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C:951:91: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"parameter value too long for NAMD config parameter",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitvels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:970:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_rescalevels(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:987:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_run(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1004:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1008:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1017:46: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not norepeat",TCL_VOLATILE);
^
src/ScriptTcl.C:1027:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1032:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1036:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1040:107: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"run called with minimization enabled; use minimize command instead",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_minimize(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1066:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1074:77: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be non-negative",TCL_VOLATILE);
^
src/ScriptTcl.C:1079:90: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"firstTimestep must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C:1083:92: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"number of steps must be a multiple of stepsPerCycle",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_moveallby(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1108:55: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp, "wrong # args", TCL_VOLATILE);
^
src/ScriptTcl.C:1120:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_move(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1139:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1147:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"syntax is 'move <id> to|by {<x> <y> <z>}'",TCL_VOLATILE);
^
src/ScriptTcl.C:1157:68: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"third argument not a vector",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_output(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1185:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too few args",TCL_VOLATILE);
^
src/ScriptTcl.C:1189:54: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"too many args",TCL_VOLATILE);
^
src/ScriptTcl.C:1194:59: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"file name too long",TCL_VOLATILE);
^
src/ScriptTcl.C:1207:62: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
"first arg not withforces or onlyforces",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_measure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1246:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarbias(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1273:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1278:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C:1290:82: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"energydiff requires a previous timestep",TCL_VOLATILE);
^
src/ScriptTcl.C:1302:69: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown colvarbias operation",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarvalue(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1315:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1320:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvarfreq(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1366:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C:1371:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_colvars(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1388:66: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"colvars module not active",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpoint(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1413:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_revert(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1427:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_checkpointReplica(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1452:74: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1461:76: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <key> ?<replica> or global?",TCL_VOLATILE);
^
src/ScriptTcl.C:1467:115: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaUniformPatchGrids is required for checkpointing on other replicas",TCL_VOLATILE);
^
src/ScriptTcl.C:450:63: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"negative replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:454:67: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"non-existent replica index",TCL_VOLATILE); \
^
src/ScriptTcl.C:1472:3: note: in expansion of macro 'CHECK_REPLICA'
CHECK_REPLICA(replica);
^
src/ScriptTcl.C:1485:100: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"checkpointStore/Load/Swap/Free called via unrecognized name",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_replicaDcdFile(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1495:94: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"replicaDcdFile not supported in memory-optimized builds",TCL_VOLATILE);
^
src/ScriptTcl.C:1503:71: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"args: <index>|off ?<filename>?",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_callback(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1520:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reinitatoms(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1554:53: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"wrong # args",TCL_VOLATILE);
^
src/ScriptTcl.C: In static member function 'static int ScriptTcl::Tcl_reloadStructure(ClientData, Tcl_Interp*, int, char**)':
src/ScriptTcl.C:1907:60: warning: deprecated conversion from string constant to 'char*' [-Wwrite-strings]
Tcl_SetResult(interp,"unknown structure",TCL_VOLATILE);
^
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
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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
In file included from inc/CudaPmeSolver.decl.h:7:0,
from inc/ComputePmeCUDAMgr.decl.h:7,
from inc/main.decl.h:109,
from src/WorkDistrib.C:30:
inc/PmeSolver.decl.h:2007:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:167:3: note: in expansion of macro 'PmePencilXY_SDAG_CODE'
PmePencilXY_SDAG_CODE
^
inc/PmeSolver.decl.h:2519:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:194:3: note: in expansion of macro 'PmePencilX_SDAG_CODE'
PmePencilX_SDAG_CODE
^
inc/PmeSolver.decl.h:2995:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:221:3: note: in expansion of macro 'PmePencilY_SDAG_CODE'
PmePencilY_SDAG_CODE
^
inc/PmeSolver.decl.h:3607:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/PmeSolver.h:249:3: note: in expansion of macro 'PmePencilZ_SDAG_CODE'
PmePencilZ_SDAG_CODE
^
In file included from inc/main.decl.h:109:0,
from src/WorkDistrib.C:30:
inc/ComputePmeCUDAMgr.decl.h:2086:35: warning: 'auto_ptr' is deprecated (declared at /opt/gcc/4.9.3/snos/include/g++/backward/auto_ptr.h:87) [-Wdeprecated-declarations]
std::auto_ptr<SDAG::Dependency> __dep; \
^
src/ComputePmeCUDAMgr.h:432:3: note: in expansion of macro 'ComputePmeCUDAMgr_SDAG_CODE'
ComputePmeCUDAMgr_SDAG_CODE;
^
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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/extras/CUPTI/include -I/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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 Mar 19 19:52:44 CDT 2018";
const char *namd_build_user = "bwjenkins";
const char *namd_build_machine = "h2ologin3";
.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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 moduleinit41459.C -o moduleinit41459.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/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64 -L/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/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 moduleinit41459.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 moduleinit41459.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
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.
rm -f moduleinit41459.C moduleinit41459.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: Job submitted to account: jnc
MYJOBID=8324164.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
Mon Mar 19 19:53:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 19:58:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:03:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:08:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:13:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:18:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:23:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:28:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:33:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:38:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:43:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:48:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:53:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 20:58:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 21:03:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 21:08:04 CDT 2018: waiting for 8324164.bw to finish
Mon Mar 19 21:13:04 CDT 2018: waiting for 8324164.bw to finish
qstat: Unknown Job Id Error 8324164.bw
8324164.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 -370808357.2688 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7974 296.9741 -312942286.0143 -243190413.0868 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 876113.5186 20892666.1787 1750749.5795 153080.3644 -370513986.2675 34394628.9597 0.0000 0.0000 68911992.2896 -243534755.3770 295.7008 -312446747.6666 -242982426.8580 295.6343 -130.7143 -15.7045 979736943.9762 0.8295 0.8191
ENERGY: 400 877305.3915 20923285.5429 1749713.8381 152959.2953 -370494392.5430 34393106.8021 0.0000 0.0000 68956676.6099 -243441345.0632 295.8926 -312398021.6731 -242886839.4396 295.8458 -128.8188 -13.7919 979803316.8296 1.2949 1.2855
ENERGY: 600 877395.8383 20944256.4064 1751566.8183 153457.9243 -370445655.6263 34390956.4688 0.0000 0.0000 68975413.4645 -243352608.7058 295.9730 -312328022.1703 -242796500.6252 295.9819 -121.2727 -6.5246 979836828.7183 1.2357 1.2474
ENERGY: 800 873664.2072 20968315.2423 1750197.0266 153948.7767 -370589553.9360 34536941.0984 0.0000 0.0000 69002990.4290 -243303497.1558 296.0913 -312306487.5848 -242746092.1816 296.1111 -59.0665 55.7331 979427495.7172 0.8600 0.8629
ENERGY: 1000 873344.5029 20984791.6370 1750843.2054 153408.2255 -370533510.4507 34497208.8001 0.0000 0.0000 69016370.9659 -243257543.1139 296.1487 -312273914.0797 -242700833.0706 296.1784 -67.6136 47.1873 979524894.5283 0.3974 0.4059
ENERGY: 1200 879271.3639 20978122.2525 1751582.2988 153143.8408 -370375666.3499 34350311.4415 0.0000 0.0000 69021387.4623 -243241847.6901 296.1703 -312263235.1525 -242683414.3904 296.2279 -140.5646 -26.2422 979939420.5577 1.0392 1.0421
ENERGY: 1400 879794.3255 20983903.5614 1750722.2307 152824.2294 -370363545.3232 34347775.0558 0.0000 0.0000 69040035.4981 -243208490.4223 296.2503 -312248525.9204 -242650015.9381 296.2925 -143.4038 -28.4384 979978004.1200 1.5402 1.5396
ENERGY: 1600 876628.0779 20990003.6670 1750747.9043 153320.9814 -370448917.5286 34442011.3860 0.0000 0.0000 69068550.2183 -243167655.2937 296.3726 -312236205.5120 -242609319.6536 296.3617 -101.8871 13.3268 979769296.8075 1.2799 1.2770
ENERGY: 1800 874518.8578 21012046.3063 1751068.7889 153620.4717 -370508987.5213 34506388.1418 0.0000 0.0000 69057514.0591 -243153830.8957 296.3253 -312211344.9548 -242594618.1557 296.4026 -69.5165 45.4073 979651265.8975 0.6744 0.6740
ENERGY: 2000 875693.1518 21005620.4523 1749946.3484 153152.1991 -370456685.4226 34456078.7899 0.0000 0.0000 69074955.2319 -243141239.2493 296.4001 -312216194.4812 -242582093.1918 296.4322 -84.2000 30.5698 979674034.9273 0.6540 0.6582
1 YVALUE= 1421.124756
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins2988339164168639087.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}
