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INSTALL: clarify docs for __INTEL_COMPILER flag
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based on the discussion in #198
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dev-zero committed Feb 13, 2019
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Expand Up @@ -56,7 +56,7 @@ BLAS and LAPACK should be installed. Using vendor-provided libraries can make a
* http://math-atlas.sourceforge.net/
* https://www.tacc.utexas.edu/research-development/tacc-software/gotoblas2

If compiling with OpenMP support then it is recommended to use a non-threaded version of BLAS. In particular if compiling with MKL and using OpenMP you must define `-D__MKL` to ensure the code is thread-safe. MKL with multiple OpenMP threads in CP2K requires that CP2K was compiled with the Intel compiler (and `-D__INTEL_COMPILER` is defined if explicit pre-processing is performed using cpp instead of the compiler).
If compiling with OpenMP support then it is recommended to use a non-threaded version of BLAS. In particular if compiling with MKL and using OpenMP you must define `-D__MKL` to ensure the code is thread-safe. MKL with multiple OpenMP threads in CP2K requires that CP2K was compiled with the Intel compiler. If the `cpp` precompiler is used in a separate precompilation step in combination with the Intel Fortran compiler, `-D__INTEL_COMPILER` must be added explicitly (the Intel compiler sets `__INTEL_COMPILER` otherwise automatically).

On the Mac, BLAS and LAPACK may be provided by Apple's Accelerate framework. If using this framework, `-D__ACCELERATE` must be defined to account for some interface incompatibilities between Accelerate and reference BLAS/LAPACK.

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