NVIDIA ships OpenMPI. You can select the FORTRAN compiler by using the OMPI_FC environment variable, see https://urldefense.us/v3/__https://docs.open-mpi.org/en/v5.0.x/building-apps/customizing-wrappers.html__;!!G_uCfscf7eWS!dVGG_CfOVumpO5kAMWVbjzj4d6nRX1gwuaGnbv41cwClu5AMW_lX90wMUOZkeZwnbrCat53pFti0ckjLxs7nQJzi0CZkLW4$
Il giorno sab 2 ago 2025 alle ore 19:12 Renato E Poli <rp...@utexas.edu> ha scritto: > Understood. > > I believe I am running in circles. > > I managed to create the container, but it ended up with multiple MPI > implementations. > It seems that CUDA SDK has its own MPI, and polutes the PATH. > Is there any docker container PETSC+CUDA you would recommend? > This is a snippet of my Dockerfile, but I am not 100% happy with it. > > <<<<<< > FROM docker.io/ubuntu:24.04 > <https://urldefense.us/v3/__http://docker.io/ubuntu:24.04__;!!G_uCfscf7eWS!ft2AAfoKdKf-j-6E6nTqtzXHqQEmnbsH7as3hylOIpz7OiONASpD-qNuRNcnDapAFok1YeTP2lLQfH7gQBL7Ow$> > # Install necessary build tools and dependencies > RUN apt-get update && apt-get install -y libmpich-dev gfortran > libomp-dev (...) > (...) > > ## NVIDIA HPC SDK > RUN wget > https://urldefense.us/v3/__https://developer.download.nvidia.com/hpc-sdk/25.5/nvhpc_2025_255_Linux_x86_64_cuda_12.9.tar.gz__;!!G_uCfscf7eWS!dVGG_CfOVumpO5kAMWVbjzj4d6nRX1gwuaGnbv41cwClu5AMW_lX90wMUOZkeZwnbrCat53pFti0ckjLxs7nQJziY4A4vmo$ > > <https://urldefense.us/v3/__https://developer.download.nvidia.com/hpc-sdk/25.5/nvhpc_2025_255_Linux_x86_64_cuda_12.9.tar.gz__;!!G_uCfscf7eWS!ft2AAfoKdKf-j-6E6nTqtzXHqQEmnbsH7as3hylOIpz7OiONASpD-qNuRNcnDapAFok1YeTP2lLQfH7ne1cFSw$> > && > tar xpzfv nvhpc_2025_255_Linux_x86_64_cuda_12.9.tar.gz && > nvhpc_2025_255_Linux_x86_64_cuda_12.9/install --silent > --accept-license --instal-dir /opt/nvidia/hpc_sdk > > RUN cd petsc-3.23.5 &&\ > ./configure --prefix=/usr/local/petsc --PETSC_ARCH=arch-linux-c-opt > --with-debugging=0 \ > --with-mpi --download-hypre --with-blaslapack --with-cuda > --with-cuda-dir=/opt/nvidia/hpc_sdk/Linux_x86_64/25.5/cuda && \ > make all install && \ > cd .. > > (...) > ENV > PATH=${NVHPC_ROOT}/compilers/bin:${NVHPC_ROOT}/comm_libs/mpi/bin:${PATH} > ENV MANPATH=${NVHPC_ROOT}/compilers/man:${MANPATH} > ENV LD_LIBRARY_PATH=${NVHPC_ROOT}/compilers/lib:${LD_LIBRARY_PATH} > >>>>>> > > Renato > > On Sat, Aug 2, 2025 at 11:11 AM Satish Balay <balay....@fastmail.org> > wrote: > >> Please send configure.log >> >> presumably you are using a pre-installed mpi from hpc-sdk - that uses NV >> compilers. [and PETSc configure is defaulting to mpicc/mpif90 in PATH] >> >> If you do not have MPI with gcc/gfortran - you can do something like: >> >> ./configure --with-cuda=1 --with-cc=gcc --with-cxx=g++ --with-fc=gfortran >> --download-mpich [other options] >> >> When no options are specified - configure guesses - and picks up what it >> can find - and sometimes that might not be what you intend to use.. >> >> Satish >> >> On Sat, 2 Aug 2025, Renato E Poli wrote: >> >> > It seems that the installer is the one choosing to use nvfortran >> instead of >> > gfortran. >> > >> > I am building a docker container (clean environment). >> > I simply install CUDA SDK from >> > >> https://urldefense.us/v3/__https://developer.download.nvidia.com/hpc-sdk/25.5/nvhpc_2025_255_Linux_x86_64_cuda_12.9.tar.gz__;!!G_uCfscf7eWS!cBTymZpXcpFZ7BHpCGxn0ooq_STD1f9CioiFgRypIYNWg9lpwnmLpddrWk0-J-wQoeTw9Ipu2FPm037mQg_C2w$ >> > , set paths and call petsc configure. >> > >> > RUN cd petsc-3.23.5 &&\ >> > ./configure --prefix=/usr/local/petsc --with-debugging=0 >> --with-mpi >> > --download-hdf5 --download-hypre --with-blaslapack --with-cuda && \ >> > make all && make install >> > >> > Do you see any reason for using the wrong compiler? >> > >> > Renato >> > >> > On Sat, Aug 2, 2025 at 12:28 AM Satish Balay <balay....@fastmail.org> >> wrote: >> > >> > > NVFORTRAN (based on flang-17) does not support some F2008 features >> that >> > > are required here (flang-19+ should work) >> > > >> > > Suggest using gfortran instead. >> > > >> > > Satish >> > > >> > > On Fri, 1 Aug 2025, Renato E Poli wrote: >> > > >> > > > Hi, >> > > > >> > > > I see the error below when compiling with --with-cuda. >> > > > >> > > > Any suggestion? >> > > > >> > > > >> > > > CC arch-linux-c-opt/obj/src/mat/impls/aij/seq/inode2.o >> > > > CC >> arch-linux-c-opt/obj/src/mat/impls/aij/seq/aijperm/aijperm.o >> > > > CC >> > > arch-linux-c-opt/obj/src/mat/impls/aij/seq/mattransposematmult.o >> > > > CC arch-linux-c-opt/obj/src/mat/impls/aij/seq/matptap.o >> > > > CC arch-linux-c-opt/obj/src/mat/impls/aij/seq/matrart.o >> > > > FC arch-linux-c-opt/obj/src/sys/ftn-mod/petscsysmod.o >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: 6) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 18) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 30) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 42) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 54) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 65) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 76) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 88) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 100) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 112) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 124) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 136) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 148) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscsys.h: >> > > 160) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscviewer.h: 6) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscviewer.h: >> > > > 17) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscoptions.h: >> > > > 6) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscoptions.h: >> > > > 18) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscoptions.h: >> > > > 30) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petsclog.h: 5) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petsclog.h: >> > > 17) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petsclog.h: >> > > 29) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscdevice.h: 6) >> > > > NVFORTRAN-S-0034-Syntax error at or near end of line >> > > > >> (/opt/src/petsc-3.23.5/arch-linux-c-opt/include/../ftn/sys/petscdevice.h: >> > > > 17) >> > > > 0 inform, 0 warnings, 24 severes, 0 fatal for petscsysdef >> > > > >> > > >> > > >> > >> > -- Stefano
