#55 Crashes when running with MKL + OpenMP

[Shun Sakuraba]

Reported by Drs. Yamaguchi and Maruyama.

ERmod 1.0.3 fails when OpenMP is enabled.
ERmod 1.0.4 will come with a fix to above, but still fails with MKL_NUM_THREADS > 1.

Current work around is (with upcoming update to 1.0.4) to use MKL_NUM_THREADS=1, or use FFTW.

Current reported failing case is when using gfortran (using --disable-mpi for bug hunting) 8.5.0 + mkl 2021.2.0.

configure:8251: result: LAPACK:  -L/opt/intel/mkl/2021.2.0/lib/intel64 -lmkl_rt -fopenmp -lpthread
FFT: mkl
MPI: disabled
OpenMP: yes
FC(for erdst)=gfortran
FC_CANONICAL(for slvfe)=gfortran
FCFLAGS=-I/opt/intel/mkl/2021.2.0/include -g -O2 -fdefault-real-8 -fdefault-double-8 -O3 -ffast-math -fno-finite-math-only -march=native -fopenmp

[Shun Sakuraba]

Known to work: gfortran 12.2.0 + mkl 2024.0 at KUDPC system A (Xeon Max 9480)

[Shun Sakuraba]

Known to work: gfortran 12.2.0 + mkl 2023.2.0
Known to work: gfortran 12.2.0 + mkl 2022.2.1
and that's the limit I could trace back (since I don't have access to older MKL).
Intel MKL 2022.2 release note states
https://www.intel.com/content/www/us/en/developer/articles/release-notes/onemkl-release-notes-2022.html

Fixed failures of 1D C2C/R2C/C2R FFT with non-unit stride.

Since 3D-FFTs may use non-unit stride FFT, I'm guessing this may be the culprit?

[Shun Sakuraba]

Fixed in ver10 branch.

[Shun Sakuraba]

Released in v 1.0.4.