- Download and install QMCkl
- Compile the current tests and run
./autogen.sh
./configure
make
./bench_jastrow
Intel(R) Xeon(R) CPU E3-1271 v3 @ 3.60GHz, 4cores
./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
./configure \
CC=gcc \
CFLAGS="-g -mcpu=native -fno-signaling-nans -fno-trapping-math -freciprocal-math -fno-signed-zeros -fno-math-errno -ffinite-math-only -funroll-loops -O3 -ftree-vectorize -flto -fopenmp-simd" \
FC=gfortran \
FCFLAGS="-g -mcpu=native -O2 -fstack-arrays -ffast-math -flto -ftree-vectorize -fno-stack-protector" \
--enable-hpc --with-openmp --enable-static
./configure --with-icc --with-ifort --enable-hpc --with-openmp --enable-static
# -xHost -ip -Ofast -ftz -finline -g -mkl=sequential -fopenmp
./configure \
CC=clang \
CFLAGS="-Ofast -g -march=native" \
FC=flang \
FCFLAGS="-Ofast -g -march=native" \
--enable-hpc --with-openmp --enable-static
HPC | Compiler | bench_aos (ms) | bench_aos OpenMP (ms) | bench_mos (ms) | bench_mos OpenMP (ms) |
---|---|---|---|---|---|
No | GCC-8 | 112.7 | 113.1 | 2036.1 | 2038.7 |
Yes | GCC-8 | 68.0 | 24.8 | 896.2 | 250.3 |
Yes | Intel-2021.5 | 60.5 | 24.1 | 890.0 | 231.6 |
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