I want to build Amber22 on cray system, and I would like to use cray-libsci for blas and lapack as suggested in reference manual
"If you are building Amber for a high performance computing environment, it is highly recommended to make use of an optimized BLAS implementation"
However, when I module load cray-libsci and ./run_cmake, it says that
A library with BLAS API not found. Please specify library location.
-- LAPACK requires BLAS
-- A library with LAPACK API not found. Please specify library location.
Any suggestion on how to solve this? I have tried to set -DCMAKE_PREFIX_PATH=/opt/cray/pe/libsci/23.02.1.1/GNU/9.1/x86_64 which has related cray-libsci library.
But it doesn't work
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Received on Wed May 10 2023 - 23:30:03 PDT
