Skipping 776 KB..
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/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)
^
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;
^
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 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
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/ComputePmeCUDA.o -c src/ComputePmeCUDA.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/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
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
^
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 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/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/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
^
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
^
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
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/NamdNborLB.o -c src/NamdNborLB.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/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/ComputeMsmSerial.o -c src/ComputeMsmSerial.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/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/ComputeFmmSerial.o -c src/ComputeFmmSerial.C
CC -std=c++11 -DNOHOSTNAME -DNO_GETPWUID -I.rootdir/charm-6.7.1/gni-crayxe-smp/include -DCMK_OPTIMIZE=1 -Isrc -Iinc -Iplugins/include -DSTATIC_PLUGIN -I.rootdir/tcl/include -DNAMD_TCL -I/opt/cray/fftw/3.3.4.10/interlagos/include -DNAMD_FFTW -DNAMD_FFTW_3 -DNAMD_CUDA -I. -I/opt/nvidia/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
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/BackEnd.o -c src/BackEnd.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 = "Tue Mar 13 19:52:47 CDT 2018";
const char *namd_build_user = "bwjenkins";
const char *namd_build_machine = "h2ologin2";
.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 moduleinit61611.C -o moduleinit61611.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 moduleinit61611.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 moduleinit61611.o -lmoduleCkLoop -lmoduleCkMulticast -lmoduleGreedyLB -lmoduleRefineLB -lmoduleHybridLB -lmoduleNeighborLB -lckmain -lck -lmemory-default -lthreads-default -lconv-cplus-y -lconv-core -lconv-util -lconv-partition -lmemory-default -lthreads-default -lldb-rand -lconv-ldb -lckqt -lpthread -lrt -ldl -lcudart -lcufft -Wl,--as-needed -Wl,-lcupti -Wl,-lcudart -Wl,--no-as-needed -lcuda -ltcl8.5 -ldl -lfftw3f -lm -lmoduleNeighborLB -lmoduleHybridLB -lmoduleRefineLB -lmoduleGreedyLB -lmoduleCkMulticast -lmoduleCkLoop -lm
charmc: Executing rm -f charmrun
charmc: Executing cp -p .rootdir/charm-6.7.1/gni-crayxe-smp/bin/charmrun charmrun
rm -f moduleinit61611.C moduleinit61611.o
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
INFO: The qsub '-V' option is deprecated. Please include your environment variables directly in your job script.
/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: Job submitted to account: jnc
MYJOBID=8310326.bw
=== RUNNING /u/system/bwjenkins/bin/wait_for.sh ===
Tue Mar 13 19:53:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 19:58:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 20:03:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 20:08:07 CDT 2018: waiting for 8310326.bw to finish
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Tue Mar 13 20:28:07 CDT 2018: waiting for 8310326.bw to finish
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Tue Mar 13 20:53:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 20:58:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:03:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:08:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:13:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:18:07 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:23:08 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:28:08 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:33:08 CDT 2018: waiting for 8310326.bw to finish
Tue Mar 13 21:38:08 CDT 2018: waiting for 8310326.bw to finish
qstat: Unknown Job Id Error 8310326.bw
8310326.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 -370808357.2694 34496069.0570 0.0000 0.0000 69208716.2169 -243733569.7981 296.9741 -312942286.0150 -243190413.0875 296.9741 -107.3698 7.8259 979501677.5393 -107.3698 7.8259
ENERGY: 200 876677.1389 20898135.9184 1749684.7747 153096.3118 -370493790.5031 34375735.0554 0.0000 0.0000 68911229.8178 -243529231.4860 295.6976 -312440461.3038 -242977587.8795 295.6270 -141.8399 -27.0001 979847456.0133 0.8407 0.8439
ENERGY: 400 877077.8239 20927137.7550 1750839.6142 153214.1264 -370463455.7656 34372314.2883 0.0000 0.0000 68952904.6646 -243429967.4932 295.8764 -312382872.1578 -242874861.3758 295.8554 -141.0882 -26.2216 979915578.4867 1.3915 1.3924
ENERGY: 600 876669.2094 20948291.4521 1750824.8512 153658.1901 -370498208.4624 34420737.9485 0.0000 0.0000 68984052.7564 -243363974.0548 296.0101 -312348026.8112 -242807161.7457 295.9888 -114.1515 0.6372 979812064.0227 1.2499 1.2466
ENERGY: 800 872997.5194 20961527.2330 1750054.2721 153415.4721 -370559722.6987 34511590.2911 0.0000 0.0000 69007462.0371 -243302675.8740 296.1105 -312310137.9110 -242745930.4321 296.0914 -68.4268 46.1516 979569538.7653 0.6996 0.6905
ENERGY: 1000 874319.4199 20975093.2890 1750335.0944 153006.1828 -370502219.8278 34471878.5739 0.0000 0.0000 69017816.4314 -243259770.8364 296.1549 -312277587.2678 -242702813.3477 296.1848 -80.4688 34.6874 979684177.8814 0.5397 0.5424
ENERGY: 1200 881224.1242 20978985.0405 1751437.9260 152957.3590 -370369210.2331 34346447.0272 0.0000 0.0000 69035901.5335 -243222257.2228 296.2325 -312258158.7562 -242664397.7795 296.2575 -142.4081 -27.6520 979938872.9630 1.0719 1.0679
ENERGY: 1400 877802.4220 20989610.7044 1750929.3664 153239.7028 -370413090.4441 34390253.8031 0.0000 0.0000 69045076.0262 -243206178.4192 296.2719 -312251254.4454 -242648575.1555 296.3124 -124.0291 -9.0816 979851731.3775 1.4945 1.4955
ENERGY: 1600 875743.2605 20996065.9325 1750509.7536 153428.5583 -370413965.3488 34407126.3969 0.0000 0.0000 69057071.7914 -243174019.6554 296.3234 -312231091.4468 -242614640.9415 296.3380 -111.8500 3.1821 979827535.8782 1.0469 1.0530
ENERGY: 1800 875864.5321 21008283.3802 1750414.1781 153503.2742 -370458611.2969 34453400.8085 0.0000 0.0000 69065060.7018 -243152084.4219 296.3577 -312217145.1238 -242593034.6631 296.3952 -89.9306 24.9221 979707886.8591 0.6090 0.6025
ENERGY: 2000 874877.9594 21000889.3911 1750887.3936 153114.1534 -370389688.8883 34405445.1965 0.0000 0.0000 69075277.4213 -243129197.3729 296.4015 -312204474.7942 -242570582.2862 296.4357 -105.6285 9.3119 979822252.1837 0.6991 0.7076
1 YVALUE= 1421.754150
[SSH] exit-status: 0
[namd-spp] $ /bin/sh -xe /tmp/jenkins2625697815860444552.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}
