rayhe88 / OrbSycl

A program that evaluate a scalar field (orbital) using SYCL

OrbSycl

Compilation

Laptop DELL with oneapi

mkdir build
cmake ../src/ -DCMAKE_CXX_COMPILER=icpx
cmake --build .

Polaris - ALCF machine

module use /soft/modulefiles
module load oneapi/upstream
module load nvhpc-mixed
module load craype-accel-nvidia80
module unload nvhpc-mixed
module load spack-pe-base cmake

EXTRA_FLAGS="-sycl-std=2020 -O3 -fsycl -fsycl-targets=nvptx64-nvidia-cuda -Xsycl-target-backend --cuda-gpu-arch=sm_80"
export CFLAGS="-ffp-model=precise"
export CXXFLAGS="-ffp-model=precise -fsycl $EXTRA_FLAGS"
export CC=clang
export CXX=clang++


mkdir build
cmake ../src/ -DCMAKE_CXX_COMPILER=clang++
cmake --build .

Acknowledgements

This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. Argonne National Laboratory’s work was supported by the U.S. Department of Energy, Office of Science, under contract DE-AC02-06CH11357.

All rights reserved. Copyright Argonne National Laboratory UChicago LLC. Raymundo Hernandez-Esparza