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• 23:32, 21 April 2025 Eew947 talk contribs created page Research:build instructions sander (Created page with "== New build instructions for Sander == * A better optimized BLAS library is available [http://www.tacc.utexas.edu/resources/software/#blas here] for free download. This has been built in bme-earth under ~chona/GotoBLAS. * Intel has optimized LAPACK routines as part of MKL. On bme-earth, this is installed in ~chona/intel/mkl/8.1/lib/em64t/. * Edit the <AMBER_TOP>/SRC/sander/Makefile to point to the MKL LAPACK and GotoBLAS libraries. The build rule for the sander* targets...")