bernstei

Any problem that has to do with roundoff is going to be compiler/optimization dependent (and possibly machine, although hardware level ops are pretty consistent now).

The matsci.org thread explains in quite some detail what goes wrong, I thought.

Sorry, it looks like this may never have worked, and I'm not entirely sure how I installed it before. Don't worry about it until I figure it out, and if...

OK - my original issue was caused by having a bad `.pawpyseed.site.rc` file. However, it still fails (both pip and manual `setup.py`) because it can't find `-lmkl_def`. It appears to...

No, I spoke too early - I am getting missing mkl symbols at runtime. ``` INTEL MKL ERROR: /home/cluster2_new/bernstei/.local/lib/libmkl_avx512.so.1: undefined symbol: mkl_sparse_optimize_bsr_trsm_i8. Intel MKL FATAL ERROR: Cannot load libmkl_avx512.so.1 or...

FWIW, `libmkl_def.so.1` exists in `~/.local/lib`, but not just plain `.so`.

Hmm - that does compile, but I get the error ``` INTEL MKL ERROR: /home/cluster2_new/bernstei/.local/lib/libmkl_avx512.so.1: undefined symbol: mkl_sparse_optimize_bsr_trsm_i8. Intel MKL FATAL ERROR: Cannot load libmkl_avx512.so.1 or libmkl_def.so.1. ```

That routine (`mkl_sparse_optimize_bsr_trsm_i8`) seem to be be defined in `mkl_sequential` and various `mkl*thread`, but I guess somehow those aren't getting linked in?

Standard python (3.6). Thanks for checking it out.

Oddly, without sdl = True (and removing -lmkl_def), it gives the same error, even though that symbol seems to be defined in one of the linked libraries: ``` > ldd...