[CP2K-user] [CP2K:16760] CP2K non zero-code detected
Moser Mario
mosermauer at gmail.com
Tue Mar 22 18:26:03 UTC 2022
My last tentative using sudo ./install_cp2k_toolchain.sh --enable-cuda
--gpu-ver=V100 --with-openmpi=install
resulted with Non-zero error again, log file attached this is the main
problem i reckon : nvcc fatal : redefinition of argument 'std'
Did you ever stumble upon that error, would you know how to fix this ?
Thanks again for your time and help.
Mario
Le mardi 22 mars 2022 à 16:28:21 UTC+1, Matthias Krack a écrit :
> It’s strange that you get again the same error. Did you add the
> –with-mpich=install flag?
>
> I would first try to get a CPU version of CP2K alone and then one with
> GROMACS working before building with GPU support.
>
>
>
> M.
>
>
>
> *From: *"cp... at googlegroups.com" <cp... at googlegroups.com> on behalf of
> Moser Mario <moser... at gmail.com>
> *Reply to: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Date: *Tuesday, 22 March 2022 at 16:02
> *To: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Subject: *Re: [CP2K:16758] CP2K non zero-code detected
>
>
>
> I just did , it started fine but i ended up with my initial problem that
> is : CP2K non zero-code detected (configure.log attached)
>
> i understand what you mean but i really need to be able to install with
> gpu because my next step after successfully running it on my station with
> the Turing GPU(i want to do some tutorials before trying out bigger systems)
>
> i will need to install this on a GPU cluster that have nvidia A4 cards.
>
>
>
> So you reckon i can compile it with cpu only and still link it to gromacs
> after ? (im really looking forward to be able to do simulations, i hope we
> can find a solution)
>
>
>
>
>
>
>
>
>
>
>
> Le mardi 22 mars 2022 à 15:15:49 UTC+1, Matthias Krack a écrit :
>
> Hi
>
>
>
> You can try V100 (though you have Turing GPU). No clue, if that will work.
> I suggest to compile without GPU support in the first step. If you have
> just one consumer graphics card, it is most likely not worth the effort.
>
>
>
> Matthias
>
>
>
> *From: *"cp... at googlegroups.com" <cp... at googlegroups.com> on behalf of
> Moser Mario <moser... at gmail.com>
> *Reply to: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Date: *Tuesday, 22 March 2022 at 14:53
> *To: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Subject: *Re: [CP2K:16756] CP2K non zero-code detected
>
>
>
> Hello again,
>
> i tried and it doesn't work i get error messages when using --enable-cuda
> (i enter : sudo ./install_cp2k_toolchain.sh --enable-cuda), it says i have
> to specify "--gpu-ver".
>
> In the list of gpu options i don't know which one to use (i have a 2080Ti
> at the lab) but i don't know how to find out which one has a similar
> architecture with it ( Available options are: K20X, K40, K80, P100, V100,
> Mi50, Mi100, no.).
>
> I can't chose "no" option because the script literally says "if Cuda =
> true and gpu-ver = no, then exit".
>
>
>
> Best regards.
>
>
>
> Mario
>
> Le mardi 22 mars 2022 à 10:05:53 UTC+1, Matthias Krack a écrit :
>
> Hi Mario
>
>
>
> If you want to build CP2K with GPU support enabled, then you have to
> specify that already with the install_cp2k_toolchain.sh command by adding
> the appropriate flags like –enable-cuda
> <https://github.com/cp2k/cp2k/blob/master/tools/toolchain/install_cp2k_toolchain.sh#L132>
> and/or ---gpu-ver=<your GPU>
> <https://github.com/cp2k/cp2k/blob/master/tools/toolchain/install_cp2k_toolchain.sh#L104>.
> The arch files for the make run will then be created for such a target
> platform.
>
>
>
> HTH
>
>
>
> Matthias
>
>
>
> *From: *"cp... at googlegroups.com" <cp... at googlegroups.com> on behalf of
> Moser Mario <moser... at gmail.com>
> *Reply to: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Date: *Monday, 21 March 2022 at 23:44
> *To: *"cp... at googlegroups.com" <cp... at googlegroups.com>
> *Subject: *Re: [CP2K:16750] CP2K non zero-code detected
>
>
>
> Thank you very much that actually helped.
>
>
>
> I had a successfull toolchain script message at the end (attached).
>
> So now i created a cp2k/arch directory in my /home/moser and i was about
> to proceed and follow the steps after the toolchain script.
>
> But to build cp2k you have to enter this : make –j 16
> ARCH=Linux-x86-64-gfortran VERSION=popt but -j# gives the number of cpu
> cores and i
>
> would like to use cp2k with gpu (my goal is to install CP2K first then
> link it with GROMACS to have the new GROMACS/CP2K interface from CP2K 9.1)
>
>
>
> and so i went here :
> https://github.com/cp2k/cp2k/blob/master/INSTALL.md#2j-cuda-optional-improved-performance-on-gpu-systems
> and i don't understand
>
> where i have to enter all these instructions (is it in prompt or do i have
> to modify a file ?). Also is it necessary to do all of this if i want to
> perform gpu calculations with GROMACS/CP2K
>
> or after linking GROMACS with CP2K i will be able to use gpu with standard
> GROMACS commands ?
>
>
>
> Sorry for the troubles, im not used to install QM softwares.
>
>
>
> Best regards.
>
>
>
> Mario
>
>
>
>
>
>
>
> Le mardi 15 mars 2022 à 09:32:48 UTC+1, Matthias Krack a écrit :
>
> Hi Mario
>
>
>
> Instead of the system installation, you can try to install mpich (or
> openmpi) with the toolchain by adding the flag --with-mpich=install (or
> --with-openmpi=install).
>
>
>
> Matthias
>
>
>
> *From:* cp... at googlegroups.com <cp... at googlegroups.com> *On Behalf Of *Moser
> Mario
> *Sent:* Monday, March 14, 2022 7:02 PM
> *To:* cp2k <cp... at googlegroups.com>
> *Subject:* [CP2K:16710] CP2K non zero-code detected
>
>
>
> Hello dear cp2k users,
>
> im encountering a problem when trying to install the latest version of
> CP2K 9.1, i get an error message when using the sudo
> /.install_cp2k_toolchain.sh.
>
>
>
> Do you know what i could do to fix this ? (configure.log file attached)
>
> these are the last few lines of the log file :
>
>
>
> checking how to hardcode library paths into programs... immediate
> checking whether stripping libraries is possible... yes
> checking if libtool supports shared libraries... yes
> checking whether to build shared libraries... no
> checking whether to build static libraries... yes
> checking for ranlib... (cached) ranlib
> checking for ocamlbuild... no
> checking for mpicc... mpicc
> checking for MPI_Init... no
> checking for MPI_Init in -lmpi... no
> checking for MPI_Init in -lmpich... no
> configure: error: could not find mpi library for --enable-mpi
>
>
>
> Im trying to install GROMACS/CP2K interface to be able to perform QM/MM
> biomolecular simulations but im stuck on installation...
>
>
>
> Best regards looking forward to any advice you could give me.
>
>
>
> Mario
>
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arg [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu/crtn.o] ==> obj [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu/crtn.o]
collapse obj [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu/Scrt1.o] ==> [/usr/lib/x86_64-linux-gnu/Scrt1.o]
collapse obj [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu/crti.o] ==> [/usr/lib/x86_64-linux-gnu/crti.o]
collapse obj [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu/crtn.o] ==> [/usr/lib/x86_64-linux-gnu/crtn.o]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libvori-210412/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libvori-210412/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/spglib-1.16.2/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/spglib-1.16.2/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/hdf5-1.12.0/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/hdf5-1.12.0/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/gsl-2.7/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/gsl-2.7/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/COSMA-2.5.1/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/COSMA-2.5.1/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/scalapack-2.1.0/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/scalapack-2.1.0/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libxc-5.1.7/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libxc-5.1.7/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/fftw-3.3.10/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/fftw-3.3.10/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/openblas-0.3.19/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/openblas-0.3.19/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib/../lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib]
collapse library dir [/usr/lib/gcc/x86_64-linux-gnu/10] ==> [/usr/lib/gcc/x86_64-linux-gnu/10]
collapse library dir [/usr/lib/gcc/x86_64-linux-gnu/10/../../../x86_64-linux-gnu] ==> [/usr/lib/x86_64-linux-gnu]
collapse library dir [/usr/lib/gcc/x86_64-linux-gnu/10/../../../../lib] ==> [/usr/lib]
collapse library dir [/lib/x86_64-linux-gnu] ==> [/lib/x86_64-linux-gnu]
collapse library dir [/lib/../lib] ==> [/lib]
collapse library dir [/usr/lib/x86_64-linux-gnu] ==> [/usr/lib/x86_64-linux-gnu]
collapse library dir [/usr/lib/../lib] ==> [/usr/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libvori-210412/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libvori-210412/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/spglib-1.16.2/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/spglib-1.16.2/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/hdf5-1.12.0/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/hdf5-1.12.0/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/gsl-2.7/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/gsl-2.7/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/COSMA-2.5.1/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/COSMA-2.5.1/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/scalapack-2.1.0/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/scalapack-2.1.0/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libxc-5.1.7/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libxc-5.1.7/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/fftw-3.3.10/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/fftw-3.3.10/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/openblas-0.3.19/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/openblas-0.3.19/lib]
collapse library dir [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib] ==> [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib]
collapse library dir [/usr/lib/gcc/x86_64-linux-gnu/10/../../..] ==> [/usr/lib]
implicit libs: [mpi;stdc++;m;gcc_s;gcc;pthread;c;gcc_s;gcc]
implicit objs: [/usr/lib/x86_64-linux-gnu/Scrt1.o;/usr/lib/x86_64-linux-gnu/crti.o;/usr/lib/gcc/x86_64-linux-gnu/10/crtbeginS.o;/usr/lib/gcc/x86_64-linux-gnu/10/crtendS.o;/usr/lib/x86_64-linux-gnu/crtn.o]
implicit dirs: [/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/lib;/data/moser/cp2k-9.1/tools/toolchain/install/libvori-210412/lib;/data/moser/cp2k-9.1/tools/toolchain/install/spglib-1.16.2/lib;/data/moser/cp2k-9.1/tools/toolchain/install/hdf5-1.12.0/lib;/data/moser/cp2k-9.1/tools/toolchain/install/gsl-2.7/lib;/data/moser/cp2k-9.1/tools/toolchain/install/COSMA-2.5.1/lib;/data/moser/cp2k-9.1/tools/toolchain/install/scalapack-2.1.0/lib;/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/lib;/data/moser/cp2k-9.1/tools/toolchain/install/libxc-5.1.7/lib;/data/moser/cp2k-9.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib;/data/moser/cp2k-9.1/tools/toolchain/install/fftw-3.3.10/lib;/data/moser/cp2k-9.1/tools/toolchain/install/openblas-0.3.19/lib;/usr/lib/gcc/x86_64-linux-gnu/10;/usr/lib/x86_64-linux-gnu;/usr/lib;/lib/x86_64-linux-gnu;/lib]
implicit fwks: []
Checking whether the CUDA compiler is NVIDIA using "" matched "nvcc: NVIDIA \(R\) Cuda compiler driver":
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2019 NVIDIA Corporation
Built on Wed_Oct_23_19:24:38_PDT_2019
Cuda compilation tools, release 10.2, V10.2.89
Compiling the CUDA compiler identification source file "CMakeCUDACompilerId.cu" succeeded.
Compiler: /usr/bin/nvcc
Build flags: -std=c++14;-allow-unsupported-compiler
Id flags: --keep;--keep-dir;tmp -v
The output was:
0
#$ _NVVM_BRANCH_=nvvm
#$ _SPACE_=
#$ _CUDART_=cudart
#$ _HERE_=/usr/lib/nvidia-cuda-toolkit/bin
#$ _THERE_=/usr/lib/nvidia-cuda-toolkit/bin
#$ _TARGET_SIZE_=
#$ _TARGET_DIR_=
#$ _TARGET_SIZE_=64
#$ NVVMIR_LIBRARY_DIR=/usr/lib/nvidia-cuda-toolkit/libdevice
#$ PATH=/usr/lib/nvidia-cuda-toolkit/nvvm/bin:/usr/lib/nvidia-cuda-toolkit/bin:/data/moser/cp2k-9.1/tools/toolchain/install/elpa-2021.11.001/bin:/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/bin:/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/bin:/data/moser/cp2k-9.1/tools/toolchain/install/cmake-3.22.1/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
#$ LIBRARIES= -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu
#$ rm tmp/a_dlink.reg.c
#$ gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -D__CUDA_ARCH__=300 -E -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp1.ii"
#$ cicc --c++14 --gnu_version=100200 --allow_managed -arch compute_30 -m64 -ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 --include_file_name "CMakeCUDACompilerId.fatbin.c" -tused -nvvmir-library "/usr/lib/nvidia-cuda-toolkit/libdevice/libdevice.10.bc" --gen_module_id_file --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" --orig_src_file_name "CMakeCUDACompilerId.cu" --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.c" --stub_file_name "tmp/CMakeCUDACompilerId.cudafe1.stub.c" --gen_device_file_name "tmp/CMakeCUDACompilerId.cudafe1.gpu" "tmp/CMakeCUDACompilerId.cpp1.ii" -o "tmp/CMakeCUDACompilerId.ptx"
#$ ptxas -arch=sm_30 -m64 "tmp/CMakeCUDACompilerId.ptx" -o "tmp/CMakeCUDACompilerId.sm_30.cubin"
#$ fatbinary --create="tmp/CMakeCUDACompilerId.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " "--image3=kind=elf,sm=30,file=tmp/CMakeCUDACompilerId.sm_30.cubin" "--image3=kind=ptx,sm=30,file=tmp/CMakeCUDACompilerId.ptx" --embedded-fatbin="tmp/CMakeCUDACompilerId.fatbin.c"
#$ gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -E -x c++ -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp4.ii"
#$ cudafe++ --c++14 --gnu_version=100200 --allow_managed --m64 --parse_templates --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.cpp" --stub_file_name "CMakeCUDACompilerId.cudafe1.stub.c" --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" "tmp/CMakeCUDACompilerId.cpp4.ii"
#$ gcc -std=c++14 -D__CUDA_ARCH__=300 -c -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -m64 "tmp/CMakeCUDACompilerId.cudafe1.cpp" -o "tmp/CMakeCUDACompilerId.o"
#$ nvlink --arch=sm_30 --register-link-binaries="tmp/a_dlink.reg.c" -m64 -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -cpu-arch=X86_64 "tmp/CMakeCUDACompilerId.o" -o "tmp/a_dlink.sm_30.cubin"
#$ fatbinary --create="tmp/a_dlink.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " -link "--image3=kind=elf,sm=30,file=tmp/a_dlink.sm_30.cubin" --embedded-fatbin="tmp/a_dlink.fatbin.c"
#$ gcc -std=c++14 -c -x c++ -DFATBINFILE="\"tmp/a_dlink.fatbin.c\"" -DREGISTERLINKBINARYFILE="\"tmp/a_dlink.reg.c\"" -I. -D__NV_EXTRA_INITIALIZATION= -D__NV_EXTRA_FINALIZATION= -D__CUDA_INCLUDE_COMPILER_INTERNAL_HEADERS__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -m64 "/usr/lib/nvidia-cuda-toolkit/bin/crt/link.stub" -o "tmp/a_dlink.o"
#$ g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out"
Compilation of the CUDA compiler identification source "CMakeCUDACompilerId.cu" produced "a.out"
The CUDA compiler identification is NVIDIA, found in "/data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/3.22.1/CompilerIdCUDA/a.out"
Parsed CUDA nvcc implicit link information from above output:
found 'PATH=' string: [/usr/lib/nvidia-cuda-toolkit/nvvm/bin:/usr/lib/nvidia-cuda-toolkit/bin:/data/moser/cp2k-9.1/tools/toolchain/install/elpa-2021.11.001/bin:/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/bin:/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/bin:/data/moser/cp2k-9.1/tools/toolchain/install/cmake-3.22.1/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin]
found 'LIBRARIES=' string: [-L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu]
considering line: [#$ rm tmp/a_dlink.reg.c]
considering line: [gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -D__CUDA_ARCH__=300 -E -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp1.ii" ]
considering line: [cicc --c++14 --gnu_version=100200 --allow_managed -arch compute_30 -m64 -ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 --include_file_name "CMakeCUDACompilerId.fatbin.c" -tused -nvvmir-library "/usr/lib/nvidia-cuda-toolkit/libdevice/libdevice.10.bc" --gen_module_id_file --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" --orig_src_file_name "CMakeCUDACompilerId.cu" --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.c" --stub_file_name "tmp/CMakeCUDACompilerId.cudafe1.stub.c" --gen_device_file_name "tmp/CMakeCUDACompilerId.cudafe1.gpu" "tmp/CMakeCUDACompilerId.cpp1.ii" -o "tmp/CMakeCUDACompilerId.ptx"]
considering line: [ptxas -arch=sm_30 -m64 "tmp/CMakeCUDACompilerId.ptx" -o "tmp/CMakeCUDACompilerId.sm_30.cubin" ]
considering line: [fatbinary --create="tmp/CMakeCUDACompilerId.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " "--image3=kind=elf,sm=30,file=tmp/CMakeCUDACompilerId.sm_30.cubin" "--image3=kind=ptx,sm=30,file=tmp/CMakeCUDACompilerId.ptx" --embedded-fatbin="tmp/CMakeCUDACompilerId.fatbin.c" ]
considering line: [gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -E -x c++ -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp4.ii" ]
considering line: [cudafe++ --c++14 --gnu_version=100200 --allow_managed --m64 --parse_templates --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.cpp" --stub_file_name "CMakeCUDACompilerId.cudafe1.stub.c" --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" "tmp/CMakeCUDACompilerId.cpp4.ii" ]
considering line: [gcc -std=c++14 -D__CUDA_ARCH__=300 -c -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -m64 "tmp/CMakeCUDACompilerId.cudafe1.cpp" -o "tmp/CMakeCUDACompilerId.o" ]
considering line: [nvlink --arch=sm_30 --register-link-binaries="tmp/a_dlink.reg.c" -m64 -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -cpu-arch=X86_64 "tmp/CMakeCUDACompilerId.o" -o "tmp/a_dlink.sm_30.cubin"]
ignoring nvlink line
considering line: [fatbinary --create="tmp/a_dlink.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " -link "--image3=kind=elf,sm=30,file=tmp/a_dlink.sm_30.cubin" --embedded-fatbin="tmp/a_dlink.fatbin.c" ]
considering line: [gcc -std=c++14 -c -x c++ -DFATBINFILE="\"tmp/a_dlink.fatbin.c\"" -DREGISTERLINKBINARYFILE="\"tmp/a_dlink.reg.c\"" -I. -D__NV_EXTRA_INITIALIZATION= -D__NV_EXTRA_FINALIZATION= -D__CUDA_INCLUDE_COMPILER_INTERNAL_HEADERS__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -m64 "/usr/lib/nvidia-cuda-toolkit/bin/crt/link.stub" -o "tmp/a_dlink.o" ]
considering line: [g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out" ]
extracted link line: [g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out" ]
considering line: []
extracted link launcher name: [g++]
found link launcher absolute path: [/usr/lib/nvidia-cuda-toolkit/bin/g++]
link line regex: [^( *|.*[/\])(ld|CMAKE_LINK_STARTFILE-NOTFOUND|([^/\]+-)?ld|collect2)[^/\]*( |$)]
link line: [cuda-fake-ld g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out" ]
arg [cuda-fake-ld] ==> ignore
arg [g++] ==> ignore
arg [-m64] ==> ignore
arg [-std=c++14] ==> ignore
arg [-Wl,--start-group] ==> ignore
arg [tmp/a_dlink.o] ==> ignore
arg [tmp/CMakeCUDACompilerId.o] ==> ignore
arg [-L/usr/lib/x86_64-linux-gnu/stubs] ==> dir [/usr/lib/x86_64-linux-gnu/stubs]
arg [-L/usr/lib/x86_64-linux-gnu] ==> dir [/usr/lib/x86_64-linux-gnu]
arg [-lcudadevrt] ==> lib [cudadevrt]
arg [-lcudart_static] ==> lib [cudart_static]
arg [-lrt] ==> lib [rt]
arg [-lpthread] ==> lib [pthread]
arg [-ldl] ==> lib [dl]
arg [-Wl,--end-group] ==> ignore
arg [-o] ==> ignore
arg [a.out] ==> ignore
collapse library dir [/usr/lib/x86_64-linux-gnu/stubs] ==> [/usr/lib/x86_64-linux-gnu/stubs]
collapse library dir [/usr/lib/x86_64-linux-gnu] ==> [/usr/lib/x86_64-linux-gnu]
implicit libs: [cudadevrt;cudart_static;rt;pthread;dl]
implicit objs: []
implicit dirs: [/usr/lib/x86_64-linux-gnu/stubs;/usr/lib/x86_64-linux-gnu]
implicit fwks: []
Failed to detect CUDA nvcc include information:
found 'PATH=' string: [/usr/lib/nvidia-cuda-toolkit/nvvm/bin:/usr/lib/nvidia-cuda-toolkit/bin:/data/moser/cp2k-9.1/tools/toolchain/install/elpa-2021.11.001/bin:/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/bin:/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/bin:/data/moser/cp2k-9.1/tools/toolchain/install/cmake-3.22.1/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin]
found 'LIBRARIES=' string: [-L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu]
considering line: [#$ rm tmp/a_dlink.reg.c]
considering line: [gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -D__CUDA_ARCH__=300 -E -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp1.ii" ]
considering line: [cicc --c++14 --gnu_version=100200 --allow_managed -arch compute_30 -m64 -ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 --include_file_name "CMakeCUDACompilerId.fatbin.c" -tused -nvvmir-library "/usr/lib/nvidia-cuda-toolkit/libdevice/libdevice.10.bc" --gen_module_id_file --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" --orig_src_file_name "CMakeCUDACompilerId.cu" --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.c" --stub_file_name "tmp/CMakeCUDACompilerId.cudafe1.stub.c" --gen_device_file_name "tmp/CMakeCUDACompilerId.cudafe1.gpu" "tmp/CMakeCUDACompilerId.cpp1.ii" -o "tmp/CMakeCUDACompilerId.ptx"]
considering line: [ptxas -arch=sm_30 -m64 "tmp/CMakeCUDACompilerId.ptx" -o "tmp/CMakeCUDACompilerId.sm_30.cubin" ]
considering line: [fatbinary --create="tmp/CMakeCUDACompilerId.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " "--image3=kind=elf,sm=30,file=tmp/CMakeCUDACompilerId.sm_30.cubin" "--image3=kind=ptx,sm=30,file=tmp/CMakeCUDACompilerId.ptx" --embedded-fatbin="tmp/CMakeCUDACompilerId.fatbin.c" ]
considering line: [gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -E -x c++ -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp4.ii" ]
considering line: [cudafe++ --c++14 --gnu_version=100200 --allow_managed --m64 --parse_templates --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.cpp" --stub_file_name "CMakeCUDACompilerId.cudafe1.stub.c" --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" "tmp/CMakeCUDACompilerId.cpp4.ii" ]
considering line: [gcc -std=c++14 -D__CUDA_ARCH__=300 -c -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -m64 "tmp/CMakeCUDACompilerId.cudafe1.cpp" -o "tmp/CMakeCUDACompilerId.o" ]
considering line: [nvlink --arch=sm_30 --register-link-binaries="tmp/a_dlink.reg.c" -m64 -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -cpu-arch=X86_64 "tmp/CMakeCUDACompilerId.o" -o "tmp/a_dlink.sm_30.cubin"]
ignoring nvlink line
considering line: [fatbinary --create="tmp/a_dlink.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " -link "--image3=kind=elf,sm=30,file=tmp/a_dlink.sm_30.cubin" --embedded-fatbin="tmp/a_dlink.fatbin.c" ]
considering line: [gcc -std=c++14 -c -x c++ -DFATBINFILE="\"tmp/a_dlink.fatbin.c\"" -DREGISTERLINKBINARYFILE="\"tmp/a_dlink.reg.c\"" -I. -D__NV_EXTRA_INITIALIZATION= -D__NV_EXTRA_FINALIZATION= -D__CUDA_INCLUDE_COMPILER_INTERNAL_HEADERS__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -m64 "/usr/lib/nvidia-cuda-toolkit/bin/crt/link.stub" -o "tmp/a_dlink.o" ]
considering line: [g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out" ]
extracted link line: [g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out" ]
considering line: []
extracted link launcher name: [g++]
found link launcher absolute path: [/usr/lib/nvidia-cuda-toolkit/bin/g++]
no 'INCLUDES=' string found in nvcc output:
#$ _NVVM_BRANCH_=nvvm
#$ _SPACE_=
#$ _CUDART_=cudart
#$ _HERE_=/usr/lib/nvidia-cuda-toolkit/bin
#$ _THERE_=/usr/lib/nvidia-cuda-toolkit/bin
#$ _TARGET_SIZE_=
#$ _TARGET_DIR_=
#$ _TARGET_SIZE_=64
#$ NVVMIR_LIBRARY_DIR=/usr/lib/nvidia-cuda-toolkit/libdevice
#$ PATH=/usr/lib/nvidia-cuda-toolkit/nvvm/bin:/usr/lib/nvidia-cuda-toolkit/bin:/data/moser/cp2k-9.1/tools/toolchain/install/elpa-2021.11.001/bin:/data/moser/cp2k-9.1/tools/toolchain/install/libxsmm-1.17/bin:/data/moser/cp2k-9.1/tools/toolchain/install/openmpi-4.1.1/bin:/data/moser/cp2k-9.1/tools/toolchain/install/cmake-3.22.1/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin
#$ LIBRARIES= -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu
#$ rm tmp/a_dlink.reg.c
#$ gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -D__CUDA_ARCH__=300 -E -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp1.ii"
#$ cicc --c++14 --gnu_version=100200 --allow_managed -arch compute_30 -m64 -ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 --include_file_name "CMakeCUDACompilerId.fatbin.c" -tused -nvvmir-library "/usr/lib/nvidia-cuda-toolkit/libdevice/libdevice.10.bc" --gen_module_id_file --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" --orig_src_file_name "CMakeCUDACompilerId.cu" --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.c" --stub_file_name "tmp/CMakeCUDACompilerId.cudafe1.stub.c" --gen_device_file_name "tmp/CMakeCUDACompilerId.cudafe1.gpu" "tmp/CMakeCUDACompilerId.cpp1.ii" -o "tmp/CMakeCUDACompilerId.ptx"
#$ ptxas -arch=sm_30 -m64 "tmp/CMakeCUDACompilerId.ptx" -o "tmp/CMakeCUDACompilerId.sm_30.cubin"
#$ fatbinary --create="tmp/CMakeCUDACompilerId.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " "--image3=kind=elf,sm=30,file=tmp/CMakeCUDACompilerId.sm_30.cubin" "--image3=kind=ptx,sm=30,file=tmp/CMakeCUDACompilerId.ptx" --embedded-fatbin="tmp/CMakeCUDACompilerId.fatbin.c"
#$ gcc -D__NV_NO_HOST_COMPILER_CHECK=1 -std=c++14 -E -x c++ -D__CUDACC__ -D__NVCC__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -include "cuda_runtime.h" -m64 "CMakeCUDACompilerId.cu" -o "tmp/CMakeCUDACompilerId.cpp4.ii"
#$ cudafe++ --c++14 --gnu_version=100200 --allow_managed --m64 --parse_templates --gen_c_file_name "tmp/CMakeCUDACompilerId.cudafe1.cpp" --stub_file_name "CMakeCUDACompilerId.cudafe1.stub.c" --module_id_file_name "tmp/CMakeCUDACompilerId.module_id" "tmp/CMakeCUDACompilerId.cpp4.ii"
#$ gcc -std=c++14 -D__CUDA_ARCH__=300 -c -x c++ -DCUDA_DOUBLE_MATH_FUNCTIONS -m64 "tmp/CMakeCUDACompilerId.cudafe1.cpp" -o "tmp/CMakeCUDACompilerId.o"
#$ nvlink --arch=sm_30 --register-link-binaries="tmp/a_dlink.reg.c" -m64 -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -cpu-arch=X86_64 "tmp/CMakeCUDACompilerId.o" -o "tmp/a_dlink.sm_30.cubin"
#$ fatbinary --create="tmp/a_dlink.fatbin" -64 --cicc-cmdline="-ftz=0 -prec_div=1 -prec_sqrt=1 -fmad=1 " -link "--image3=kind=elf,sm=30,file=tmp/a_dlink.sm_30.cubin" --embedded-fatbin="tmp/a_dlink.fatbin.c"
#$ gcc -std=c++14 -c -x c++ -DFATBINFILE="\"tmp/a_dlink.fatbin.c\"" -DREGISTERLINKBINARYFILE="\"tmp/a_dlink.reg.c\"" -I. -D__NV_EXTRA_INITIALIZATION= -D__NV_EXTRA_FINALIZATION= -D__CUDA_INCLUDE_COMPILER_INTERNAL_HEADERS__ -D__CUDACC_VER_MAJOR__=10 -D__CUDACC_VER_MINOR__=2 -D__CUDACC_VER_BUILD__=89 -m64 "/usr/lib/nvidia-cuda-toolkit/bin/crt/link.stub" -o "tmp/a_dlink.o"
#$ g++ -m64 -std=c++14 -Wl,--start-group "tmp/a_dlink.o" "tmp/CMakeCUDACompilerId.o" -L/usr/lib/x86_64-linux-gnu/stubs -L/usr/lib/x86_64-linux-gnu -lcudadevrt -lcudart_static -lrt -lpthread -ldl -Wl,--end-group -o "a.out"
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Detecting CUDA compiler ABI info failed to compile with the following output:
Change Dir: /data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp
Run Build Command(s):/usr/bin/gmake -f Makefile cmTC_35634/fast && /usr/bin/gmake -f CMakeFiles/cmTC_35634.dir/build.make CMakeFiles/cmTC_35634.dir/build
gmake[1]: Entering directory '/data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp'
Building CUDA object CMakeFiles/cmTC_35634.dir/CMakeCUDACompilerABI.cu.o
/usr/bin/nvcc -forward-unknown-to-host-compiler -std=c++14 -allow-unsupported-compiler --generate-code=arch=compute_30,code=[compute_30,sm_30] -Xcompiler=-v -std=c++11 -MD -MT CMakeFiles/cmTC_35634.dir/CMakeCUDACompilerABI.cu.o -MF CMakeFiles/cmTC_35634.dir/CMakeCUDACompilerABI.cu.o.d -x cu -c /data/moser/cp2k-9.1/tools/toolchain/install/cmake-3.22.1/share/cmake-3.22/Modules/CMakeCUDACompilerABI.cu -o CMakeFiles/cmTC_35634.dir/CMakeCUDACompilerABI.cu.o
nvcc fatal : redefinition of argument 'std'
gmake[1]: *** [CMakeFiles/cmTC_35634.dir/build.make:79: CMakeFiles/cmTC_35634.dir/CMakeCUDACompilerABI.cu.o] Error 1
gmake[1]: Leaving directory '/data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp'
gmake: *** [Makefile:127: cmTC_35634/fast] Error 2
Determining if the CUDA compiler works failed with the following output:
Change Dir: /data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp
Run Build Command(s):/usr/bin/gmake -f Makefile cmTC_35099/fast && /usr/bin/gmake -f CMakeFiles/cmTC_35099.dir/build.make CMakeFiles/cmTC_35099.dir/build
gmake[1] : on entre dans le répertoire « /data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp »
Building CUDA object CMakeFiles/cmTC_35099.dir/main.cu.o
/usr/bin/nvcc -forward-unknown-to-host-compiler -std=c++14 -allow-unsupported-compiler --generate-code=arch=compute_30,code=[compute_30,sm_30] -std=c++11 -MD -MT CMakeFiles/cmTC_35099.dir/main.cu.o -MF CMakeFiles/cmTC_35099.dir/main.cu.o.d -x cu -c /data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp/main.cu -o CMakeFiles/cmTC_35099.dir/main.cu.o
nvcc fatal : redefinition of argument 'std'
gmake[1]: *** [CMakeFiles/cmTC_35099.dir/build.make:79 : CMakeFiles/cmTC_35099.dir/main.cu.o] Erreur 1
gmake[1] : on quitte le répertoire « /data/moser/cp2k-9.1/tools/toolchain/build/SpFFT-1.0.5/build-cuda/CMakeFiles/CMakeTmp »
gmake: *** [Makefile:127 : cmTC_35099/fast] Erreur 2
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