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Remove misleading instruction about MKL error
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sunqm committed Oct 16, 2023
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Expand Up @@ -228,15 +228,6 @@ Known problems
parameter ``env[PTR_EXPCUTOFF]`` (since libcint 4.0). This parameter needs to be
set to ``abs(ln(cutoff_threshold))``.

* On 64-bit systems, ``make test`` stop with error: ::

MKL FATAL ERROR: Cannot load libmkl_avx.so or libmkl_def.so.

This problem is caused by the conflict between Python and MKL library.
It can be fixed by adding ``-lmkl_avx`` or ``-lmkl_mc -lmkl_def`` to MKL link
flags to replace the default BLAS link flags. Be careful with the
**order** of ``-lmkl_mc`` and ``-lmkl_def``.

* For basic ERIs, the code can handle highest angular momentum up to 7
(present Rys-roots functions might be numerically unstable for
nroots > 10 or l > 5). But it has to be reduced to 5 or less for
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