#!/usr/bin/python3 # Use GNU compilers: # # Note cray-libsci provides BLAS etc. In summary, we have # module use /soft/modulefiles # module unload darshan # module load PrgEnv-gnu cray-libsci nvhpc-mixed craype-accel-nvidia80 cudatoolkit-standalone/12.4.1 # export MPICH_GPU_SUPPORT_ENABLED=1 # export MPICH_GPU_IPC_ENABLED=0 # # $ module list # Currently Loaded Modules: # 1) libfabric/1.15.2.0 7) nghttp2/1.57.0-ciat5hu 13) cray-mpich/8.1.28 19) cray-libsci/23.12.5 # 2) craype-network-ofi 8) curl/8.4.0-2ztev25 14) cray-pmi/6.1.13 20) nvhpc-mixed/23.9 # 3) perftools-base/23.12.0 9) cmake/3.27.7 15) cray-pals/1.3.4 21) craype-accel-nvidia80 # 4) darshan/3.4.4 10) cudatoolkit-standalone/12.4.1 16) cray-libpals/1.3.4 # 5) gcc-native/12.3 11) craype/2.7.30 17) craype-x86-milan # 6) spack-pe-base/0.6.1 12) cray-dsmml/0.2.2 18) PrgEnv-gnu/8.5.0 # # With above, Cray-MPICH GPU-aware MPI works on a node but still fail with multiple nodes. In the latter case, you can # add the PETSc runtime option -use_gpu_aware_mpi 0 as a workaround. if __name__ == '__main__': import sys import os sys.path.insert(0, os.path.abspath('config')) import configure configure_options = [ '--with-cc=cc', '--with-cxx=CC', '--with-fc=ftn', '--with-debugging=0', '--with-cuda', '--with-cudac=nvcc', '--with-cuda-arch=80', # Since there is no easy way to auto-detect the cuda arch on the gpu-less Polaris login nodes, we explicitly set it. '--download-kokkos', '--download-kokkos-kernels', '--download-umpire', '--download-hypre', ] configure.petsc_configure(configure_options) # Use NVHPC compilers # # Unset so that cray won't add -gpu to nvc even when craype-accel-nvidia80 is loaded # unset CRAY_ACCEL_TARGET # module load nvhpc/22.11 PrgEnv-nvhpc # # I met two problems with nvhpc and Kokkos (and Kokkos-Kernels) 4.2.0. # 1) Kokkos-Kernles failed at configuration to find TPL cublas and cusparse from NVHPC. # As a workaround, I just load cudatoolkit-standalone/11.8.0 to let KK use cublas and cusparse from cudatoolkit-standalone. # 2) KK failed at compilation # "/home/jczhang/petsc/arch-kokkos-dbg/externalpackages/git.kokkos-kernels/batched/dense/impl/KokkosBatched_Gemm_Serial_Internal.hpp", line 94: error: expression must have a constant value # constexpr int nbAlgo = Algo::Gemm::Blocked::mb(); # ^ # "/home/jczhang/petsc/arch-kokkos-dbg/externalpackages/git.kokkos-kernels/blas/impl/KokkosBlas_util.hpp", line 58: note: cannot call non-constexpr function "__builtin_is_device_code" (declared implicitly) # KOKKOS_IF_ON_HOST((return 4;)) # ^ # detected during: # # It is a KK problem and I have to wait for their fix.