diff --git a/Tools/machines/frontier-olcf/frontier_warpx.profile.example b/Tools/machines/frontier-olcf/frontier_warpx.profile.example index 50e12e99a38..f59f2d3d058 100644 --- a/Tools/machines/frontier-olcf/frontier_warpx.profile.example +++ b/Tools/machines/frontier-olcf/frontier_warpx.profile.example @@ -8,9 +8,9 @@ if [ -z ${proj-} ]; then echo "WARNING: The 'proj' variable is not yet set in yo # required dependencies module load cmake/3.23.2 module load craype-accel-amd-gfx90a -module load rocm/5.2.0 # waiting for 5.6 for next bump -module load cray-mpich -module load cce/15.0.0 # must be loaded after rocm +module load rocm/5.7.1 +module load cray-mpich/8.1.28 +module load cce/17.0.0 # must be loaded after rocm # optional: faster builds module load ccache @@ -26,14 +26,14 @@ export LD_LIBRARY_PATH=${HOME}/sw/frontier/gpu/blaspp-2024.05.31/lib64:$LD_LIBRA export LD_LIBRARY_PATH=${HOME}/sw/frontier/gpu/lapackpp-2024.05.31/lib64:$LD_LIBRARY_PATH # optional: for QED lookup table generation support -module load boost/1.79.0-cxx17 +module load boost/1.79.0 # optional: for openPMD support -module load adios2/2.8.3 -module load hdf5/1.14.0 +module load adios2/2.8.3-mpi +module load hdf5/1.12.1-mpi # optional: for Python bindings or libEnsemble -module load cray-python/3.9.13.1 +module load cray-python/3.11.5 if [ -d "${HOME}/sw/frontier/gpu/venvs/warpx-frontier" ] then diff --git a/Tools/machines/frontier-olcf/install_dependencies.sh b/Tools/machines/frontier-olcf/install_dependencies.sh index 503ab4525e9..fd1d28e76b5 100755 --- a/Tools/machines/frontier-olcf/install_dependencies.sh +++ b/Tools/machines/frontier-olcf/install_dependencies.sh @@ -74,7 +74,6 @@ CXX=$(which CC) CXXFLAGS="-DLAPACK_FORTRAN_ADD_" cmake -S $HOME/src/lapackpp -B cmake --build $HOME/src/lapackpp-frontier-gpu-build --target install --parallel 16 rm -rf $HOME/src/lapackpp-frontier-gpu-build - # Python ###################################################################### # python3 -m pip install --upgrade pip @@ -109,8 +108,6 @@ CUPY_INSTALL_USE_HIP=1 \ ROCM_HOME=${ROCM_PATH} \ HCC_AMDGPU_TARGET=${AMREX_AMD_ARCH} \ python3 -m pip install -v cupy -# optional: for libEnsemble -python3 -m pip install -r $HOME/src/warpx/Tools/LibEnsemble/requirements.txt # optional: for optimas (based on libEnsemble & ax->botorch->gpytorch->pytorch) #python3 -m pip install --upgrade torch --index-url https://download.pytorch.org/whl/rocm5.4.2 #python3 -m pip install -r $HOME/src/warpx/Tools/optimas/requirements.txt