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qmckl_bench's Introduction

Performance tests for QMCkl.

Installation

  1. Download and install QMCkl
  2. Compile the current tests and run
./autogen.sh
./configure
make
./bench_jastrow

Results

CPU

Intel(R) Xeon(R) CPU E3-1271 v3 @ 3.60GHz, 4cores

GNU options for QMCkl

./configure \
    CC=gcc \
    CFLAGS="-g -O2 -ffast-math  -march=native  -flto -fno-trapping-math -fno-math-errno -ftree-vectorize -fno-stack-protector" \
    FC=gfortran \
    FCFLAGS="-g -O2 -fstack-arrays -ffast-math -march=native  -flto -ftree-vectorize -fno-stack-protector" \
    --enable-hpc --with-openmp --enable-static

Intel options for QMCkl

./configure --with-icc --with-ifort --enable-hpc --with-openmp --enable-static

# -xHost -ip -Ofast -ftz -finline -g -mkl=sequential -fopenmp

Clang options for QMCkl

./configure \
    CC=clang \
    CFLAGS="-Ofast -g -march=native" \
    FC=flang  \
    FCFLAGS="-Ofast -g -march=native" \
    --enable-hpc --with-openmp --enable-static

Measures

HPCCompilerbench_aos (ms)bench_aos OpenMP (ms)bench_mos (ms)bench_mos OpenMP (ms)
NoGCC-8112.7113.12036.12038.7
YesGCC-868.024.8896.2250.3
YesIntel-2021.560.524.1890.0231.6

Memo

Run MAQAO with

maqao oneview --create-report=three --output-format=html --force-all-loops --external-libraries={\"libqmckl.so.0\"} -- ./bench_aos data/Alz_small.h5

qmckl_bench's People

Contributors

scemama avatar purplepachyderm avatar justemax avatar v1j4y avatar

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