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Axel Keller

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Builder

Compiler

BLAS

MPI

Runtime for CuC_vdW benchmark on a single node
Reference runtime of VASP 6.3.2 on AMD 7763: 296 s (source https://www.hpc.co.jp/library/wp-content/uploads/sites/8/2022/08/NVIDIA-VASP-updates-July-2022.pdf page 13)

5.4.4-builder-for-intel-2021b

intel-2021.4.0

MKL-2021.4.0

IntelMPI 2021.4.0

279.8 s (NCORE=8)

5.4.4_wannier90-builder-for-intel-2021b

intel-2021.4.0

MKL-2021.4.0

IntelMPI 2021.4.0

277.7 s (NCORE=8)

5.4.4_wannier90-builder-for-foss-2022a

gcc-11.3.0

OpenBLAS-0.3.20

OpenMPI 4.1.4

294.9 s (NCORE=8)

5.4.4_wannier90-builder-for-foss-2022a_mkl

gcc-11.3.0

MKL-2022.2.1

OpenMPI 4.1.4

296.4 s (NCORE=8)

5.4.4_wannier90-builder-for-foss-2022a_aocl

gcc-11.3.0

AOCL-4.0.0

OpenMPI 4.1.4

296.6 s (NCORE=8)

5.4.4_wannier90-builder-for-intel-2022.00

intel-2022.1.0

MKL-2022.1.0

IntelMPI 2021.6

277.8 s (NCORE=8)

Follow the steps to build VASP:

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