Dear developers,
I prefer to use intel compilators kit for most codes without Anaconda environment. But I faced with problems of compilation ALM to use with PHONOPY as python module. The compilation is always successful but execution of the code fails with phonopy unless MKL library is used. According to instructions given on alm documentation page I found that conda environment requies linalg libraries to be installed in MKL manner ("libblas=*=*mkl") although the style of MKL libraries is rather strange, i.e. conda system install blas and lapack libraries as a simlink to MKL libs:
libblas.so.3 -> libmkl_rt.so.2
liblapack.so.3 -> libmkl_rt.so.2
This is weird way to link executables with MKL library.
In order to link ALM _alm.cpython-39-x86_64-linux-gnu.so with system installed MKL libraries without Anaconda environment I modified setup.py build/installation script with full support of intel toolset compilator, which recognize icc in CC system enviroment as well as MKLROOT to link with MKL libraries (-lmkl_rt-lmkl_core and so on ) and LDFLAGS_EXTRA. Not sure the code is gentle but it works. If you find the idea attractive I can share the code or make a PR.
Best,
Eugene
Dear developers,
I prefer to use intel compilators kit for most codes without Anaconda environment. But I faced with problems of compilation ALM to use with PHONOPY as python module. The compilation is always successful but execution of the code fails with phonopy unless MKL library is used. According to instructions given on alm documentation page I found that conda environment requies linalg libraries to be installed in MKL manner ("libblas=*=*mkl") although the style of MKL libraries is rather strange, i.e. conda system install blas and lapack libraries as a simlink to MKL libs:
This is weird way to link executables with MKL library.
In order to link ALM _alm.cpython-39-x86_64-linux-gnu.so with system installed MKL libraries without Anaconda environment I modified setup.py build/installation script with full support of intel toolset compilator, which recognize icc in CC system enviroment as well as MKLROOT to link with MKL libraries (-lmkl_rt-lmkl_core and so on ) and LDFLAGS_EXTRA. Not sure the code is gentle but it works. If you find the idea attractive I can share the code or make a PR.
Best,
Eugene