StartDate: 2022-08-08 19:40:13+00:00
CpuId: 32x AMD (unknown model) [Zen 3], 7nm

CommitSHA: 11eb9ba6796d9b404282b5ce8f1706bbcd807856
CommitTime: 2022-08-08 15:59:23 +0200
CommitAuthor: Matthias Krack
CommitSubject: Adjust tolerances

Populating docker build cache... done.

#################### Building Image cp2k-hip-rocm-build ####################
Dockerfile: /tools/docker/Dockerfile.build_hip_rocm_Mi100
Build-Path: /
Build-Args: GIT_COMMIT_SHA=11eb9ba6796d9b404282b5ce8f1706bbcd807856

Sending build context to Docker daemon  364.2MB

Step 1/47 : FROM rocm/dev-ubuntu-20.04:4.5.2-complete
4.5.2-complete: Pulling from rocm/dev-ubuntu-20.04
7b1a6ab2e44d: Already exists
1ed925980e2f: Already exists
caf39a163f52: Already exists
caf39a163f52: Already exists
Digest: sha256:23c7537155c5b963a708226dfdb51162da3935469b4c8990c7de23c90a34551c
Status: Downloaded newer image for rocm/dev-ubuntu-20.04:4.5.2-complete
 ---> e766c14f6394
Step 2/47 : RUN apt-get update -qq && apt-get install -qq --no-install-recommends     hipblas                                                               gfortran                                                              mpich                                                                 libmpich-dev                                                         && rm -rf /var/lib/apt/lists/*
 ---> Using cache
 ---> 1382d913949c
Step 3/47 : ENV ROCM_PATH /opt/rocm
 ---> Using cache
 ---> bfac59c146e7
Step 4/47 : ENV PATH ${PATH}:${ROCM_PATH}/bin
 ---> Using cache
 ---> a1759c900b77
Step 5/47 : ENV LD_LIBRARY_PATH ${LD_LIBRARY_PATH}:${ROCM_PATH}/lib
 ---> Using cache
 ---> e949616781b6
Step 6/47 : ENV HIP_PLATFORM amd
 ---> Using cache
 ---> e3157a44c6c3
Step 7/47 : RUN hipconfig
 ---> Using cache
 ---> 25eab505cc5d
Step 8/47 : WORKDIR /opt/cp2k-toolchain
 ---> Using cache
 ---> c5ab8ff1b1fc
Step 9/47 : COPY ./tools/toolchain/install_requirements*.sh ./
 ---> Using cache
 ---> dde29315112c
Step 10/47 : RUN ./install_requirements.sh ubuntu
 ---> Using cache
 ---> 8250af81b901
Step 11/47 : RUN mkdir scripts
 ---> Using cache
 ---> f95cbf86432a
Step 12/47 : COPY ./tools/toolchain/scripts/VERSION      ./tools/toolchain/scripts/parse_if.py      ./tools/toolchain/scripts/tool_kit.sh      ./tools/toolchain/scripts/common_vars.sh      ./tools/toolchain/scripts/signal_trap.sh      ./tools/toolchain/scripts/get_openblas_arch.sh      ./scripts/
 ---> 349aca076037
Step 13/47 : COPY ./tools/toolchain/install_cp2k_toolchain.sh .
 ---> 59fcd4ef942e
Step 14/47 : RUN ./install_cp2k_toolchain.sh     --mpi-mode=mpich     --enable-hip=yes     --gpu-ver=Mi100     --dry-run
 ---> Running in f8569450bc9e
MPI is detected and it appears to be MPICH
Compiling with 32 processes.
Wrote only configuration files (--dry-run).
Removing intermediate container f8569450bc9e
 ---> 7d165bde9d99
Step 15/47 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/
 ---> 007243384fd0
Step 16/47 : RUN  ./scripts/stage0/install_stage0.sh && rm -rf ./build
 ---> Running in 6650b09cb18c
==================== Finding GCC from system paths ====================
path to gcc is /usr/bin/gcc
path to g++ is /usr/bin/g++
path to gfortran is /usr/bin/gfortran
Found include directory /usr/include
Step gcc took 0.00 seconds.
Step intel took 0.00 seconds.
==================== Getting proc arch info using OpenBLAS tools ====================
OpenBLAS-0.3.21.tar.gz: OK
Checksum of OpenBLAS-0.3.21.tar.gz Ok
OpenBLAS detected LIBCORE = zen
OpenBLAS detected ARCH    = x86_64
==================== Installing CMake ====================
cmake-3.22.1-Linux-x86_64.sh: OK
Checksum of cmake-3.22.1-Linux-x86_64.sh Ok
Installing from scratch into /opt/cp2k-toolchain/install/cmake-3.22.1
Step cmake took 2.00 seconds.
Removing intermediate container 6650b09cb18c
 ---> 3fac60aba7ab
Step 17/47 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/
 ---> af37a608351f
Step 18/47 : RUN  ./scripts/stage1/install_stage1.sh && rm -rf ./build
 ---> Running in b38b0458ae58
==================== Finding MPICH from system paths ====================
path to mpirun is /usr/bin/mpirun
path to mpicc is /usr/bin/mpicc
path to mpicxx is /usr/bin/mpicxx
path to mpif90 is /usr/bin/mpif90
libmpifort is found in ld search path
libmpicxx is found in ld search path
libmpi is found in ld search path
Step mpich took 0.00 seconds.
Removing intermediate container b38b0458ae58
 ---> f1611be84ae9
Step 19/47 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/
 ---> cf544a9def4b
Step 20/47 : RUN  ./scripts/stage2/install_stage2.sh && rm -rf ./build
 ---> Running in 5a042fad7922
==================== Installing OpenBLAS ====================
OpenBLAS-0.3.21.tar.gz: OK
Checksum of OpenBLAS-0.3.21.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/openblas-0.3.21
Step openblas took 80.00 seconds.
Removing intermediate container 5a042fad7922
 ---> 5bc38c854557
Step 21/47 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/
 ---> 714a102b9b3a
Step 22/47 : RUN  ./scripts/stage3/install_stage3.sh && rm -rf ./build
 ---> Running in c8f51c384ed9
==================== Installing FFTW ====================
fftw-3.3.10.tar.gz: OK
Checksum of fftw-3.3.10.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/fftw-3.3.10
Step fftw took 46.00 seconds.
==================== Installing LIBINT ====================
libint-v2.6.0-cp2k-lmax-5.tgz: OK
Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok
Installing from scratch into /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5
Step libint took 340.00 seconds.
==================== Installing LIBXC ====================
libxc-5.2.3.tar.gz: OK
Checksum of libxc-5.2.3.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/libxc-5.2.3
Step libxc took 50.00 seconds.
Removing intermediate container c8f51c384ed9
 ---> 4e63c064a2aa
Step 23/47 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/
 ---> 0be202387713
Step 24/47 : RUN  ./scripts/stage4/install_stage4.sh && rm -rf ./build
 ---> Running in d3a31fd7d9c7
==================== Installing Libxsmm ====================
libxsmm-1.17.tar.gz: OK
Checksum of libxsmm-1.17.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/libxsmm-1.17
Step libxsmm took 12.00 seconds.
==================== Installing ScaLAPACK ====================
scalapack-2.1.0.tgz: OK
Checksum of scalapack-2.1.0.tgz Ok
Installing from scratch into /opt/cp2k-toolchain/install/scalapack-2.1.0
Step scalapack took 32.00 seconds.
==================== Installing COSMA ====================
COSMA-v2.6.1.tar.gz: OK
Checksum of COSMA-v2.6.1.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/COSMA-2.6.1
Step cosma took 18.00 seconds.
Removing intermediate container d3a31fd7d9c7
 ---> ecf25df782cb
Step 25/47 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/
 ---> a521d8903a0e
Step 26/47 : RUN  ./scripts/stage5/install_stage5.sh && rm -rf ./build
 ---> Running in 3a5b77ed693e
==================== Installing ELPA ====================
elpa-2021.11.002.tar.gz: OK
Checksum of elpa-2021.11.002.tar.gz Ok
patching file nvcc_wrap
Installing from scratch into /opt/cp2k-toolchain/install/elpa-2021.11.002/cpu
Step elpa took 135.00 seconds.
Step ptscotch took 0.00 seconds.
Step superlu took 0.00 seconds.
Step pexsi took 0.00 seconds.
Removing intermediate container 3a5b77ed693e
 ---> fba7e9c1a8e0
Step 27/47 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/
 ---> 910d55916cc7
Step 28/47 : RUN  ./scripts/stage6/install_stage6.sh && rm -rf ./build
 ---> Running in b67ddca2f30e
Step quip took 0.00 seconds.
==================== Installing gsl ====================
gsl-2.7.tar.gz: OK
Checksum of gsl-2.7.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/gsl-2.7
Step gsl took 42.00 seconds.
Step plumed took 0.00 seconds.
Removing intermediate container b67ddca2f30e
 ---> 6609d6409b0f
Step 29/47 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/
 ---> 5001eca7b319
Step 30/47 : RUN  ./scripts/stage7/install_stage7.sh && rm -rf ./build
 ---> Running in 57be08853fc0
==================== Installing hdf5 ====================
hdf5-1.12.0.tar.bz2: OK
Checksum of hdf5-1.12.0.tar.bz2 Ok
Installing from scratch into /opt/cp2k-toolchain/install/hdf5-1.12.0
Step hdf5 took 93.00 seconds.
Step libvdwxc took 0.00 seconds.
==================== Installing spglib ====================
spglib-1.16.2.tar.gz: OK
Checksum of spglib-1.16.2.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/spglib-1.16.2
Step spglib took 9.00 seconds.
==================== Installing libvori ====================
libvori-220621.tar.gz: OK
Checksum of libvori-220621.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/libvori-220621
Step libvori took 17.00 seconds.
Removing intermediate container 57be08853fc0
 ---> 8fe4e899b4bb
Step 31/47 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/
 ---> b26bfb3895dc
Step 32/47 : RUN  ./scripts/stage8/install_stage8.sh && rm -rf ./build
 ---> Running in bd7c9e76d550
==================== Installing spfft ====================
SpFFT-1.0.6.tar.gz: OK
Checksum of SpFFT-1.0.6.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/SpFFT-1.0.6
Step spfft took 9.00 seconds.
==================== Installing spla ====================
SpLA-1.5.4.tar.gz: OK
Checksum of SpLA-1.5.4.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/SpLA-1.5.4
Step spla took 15.00 seconds.
==================== Installing SIRIUS ====================
SIRIUS-7.3.1.tar.gz: OK
Checksum of SIRIUS-7.3.1.tar.gz Ok
Installing from scratch into /opt/cp2k-toolchain/install/sirius-7.3.1
Step sirius took 183.00 seconds.
Removing intermediate container bd7c9e76d550
 ---> f4f7bd0bdc42
Step 33/47 : COPY ./tools/toolchain/scripts/arch_base.tmpl      ./tools/toolchain/scripts/generate_arch_files.sh      ./scripts/
 ---> b26536f202fa
Step 34/47 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build
 ---> Running in b53208b0662b
==================== generating arch files ====================
arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory
path to hipcc is /usr/bin/hipcc
libhipblas is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
libhipfft is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
libamdhip64 is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
libhipfft is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
librocblas is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
libroctx64 is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
libroctracer64 is found in ld search path
Found lib directory /opt/rocm-4.5.2/lib
Wrote /opt/cp2k-toolchain/install/arch/local.ssmp
Wrote /opt/cp2k-toolchain/install/arch/local_static.ssmp
Wrote /opt/cp2k-toolchain/install/arch/local.sdbg
Wrote /opt/cp2k-toolchain/install/arch/local_coverage.sdbg
Wrote /opt/cp2k-toolchain/install/arch/local.psmp
Wrote /opt/cp2k-toolchain/install/arch/local.pdbg
Wrote /opt/cp2k-toolchain/install/arch/local_static.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_warn.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_coverage.pdbg
Wrote /opt/cp2k-toolchain/install/arch/local_hip.ssmp
Wrote /opt/cp2k-toolchain/install/arch/local_hip.sdbg
Wrote /opt/cp2k-toolchain/install/arch/local_hip.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_hip.pdbg
Wrote /opt/cp2k-toolchain/install/arch/local_hip_warn.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_coverage_hip.pdbg
========================== usage =========================
Done!
Now copy:
  cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory
To use the installed tools and libraries and cp2k version
compiled with it you will first need to execute at the prompt:
  source /opt/cp2k-toolchain/install/setup
To build CP2K you should change directory:
  cd cp2k/
  make -j 32 ARCH=local VERSION="ssmp sdbg psmp pdbg"

arch files for GPU enabled CUDA versions are named "local_cuda.*"
arch files for GPU enabled HIP versions are named "local_hip.*"
arch files for OpenCL (GPU) versions are named "local_opencl.*"
arch files for coverage versions are named "local_coverage.*"

Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers.
It is possible to use the provided CP2K arch files as guidance.
Removing intermediate container b53208b0662b
 ---> a5f59af68759
Step 35/47 : WORKDIR /opt/cp2k
 ---> Running in 87a766c38a09
Removing intermediate container 87a766c38a09
 ---> a78e9ae0e26b
Step 36/47 : COPY ./Makefile .
 ---> 0a26723b2ed7
Step 37/47 : COPY ./src ./src
 ---> ba3cfc647b81
Step 38/47 : COPY ./exts ./exts
 ---> 5ae6b89e4388
Step 39/47 : COPY ./tools/build_utils ./tools/build_utils
 ---> ffe51febe171
Step 40/47 : RUN /bin/bash -c "     mkdir -p arch &&     ln -vs /opt/cp2k-toolchain/install/arch/local_hip.psmp ./arch/ &&     echo 'Compiling cp2k...' &&     source /opt/cp2k-toolchain/install/setup &&     ( make -j ARCH=local_hip VERSION=psmp &> /dev/null || true ) &&     ( [ ! -f ./exe/local_hip/cp2k.psmp ] || ldd ./exe/local_hip/cp2k.psmp | grep -q libmpi )"
 ---> Running in 5ed61d8c1ca0
'./arch/local_hip.psmp' -> '/opt/cp2k-toolchain/install/arch/local_hip.psmp'
Compiling cp2k...
Removing intermediate container 5ed61d8c1ca0
 ---> 1d44cc3eca74
Step 41/47 : COPY ./data ./data
 ---> 90b75887f33d
Step 42/47 : COPY ./tests ./tests
 ---> 0b8888677c8b
Step 43/47 : COPY ./tools/regtesting ./tools/regtesting
 ---> ebe4bb14ea34
Step 44/47 : COPY ./tools/docker/scripts/test_build.sh .
 ---> 23740d224ab4
Step 45/47 : RUN ./test_build.sh "local_hip" "psmp" 2>&1 | tee report.log
 ---> Running in e7ba4ab92a15
Compiling cp2k... done.

Summary: Compilation works fine.
Status: OK

Removing intermediate container e7ba4ab92a15
 ---> 151d1e53a8cb
Step 46/47 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/'
 ---> Running in 61185d618e8f
Removing intermediate container 61185d618e8f
 ---> 76356673bf44
Step 47/47 : ENTRYPOINT []
 ---> Running in acd7e4027d2b
Removing intermediate container acd7e4027d2b
 ---> b0ad10cbd648
[Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed
Successfully built b0ad10cbd648
Successfully tagged gcr.io/cp2k-org-project/img_cp2k-hip-rocm-build-arch-668:master

Pushing new image... done.

#################### Running Image cp2k-hip-rocm-build ####################

EndDate: 2022-08-08 20:16:13+00:00