Old Intel MKL libraries include some bugs for treating complex values, although all tests for the scalapck library can pass.
Thus, TeNeS test fails at AF_HFM_complex. It is better to recompile the lapack and blas libraries without the MKL libraries.
Then,
Old Intel MKL libraries include some bugs for treating complex values, although all tests for the scalapck library can pass. Thus, TeNeS test fails at AF_HFM_complex. It is better to recompile the lapack and blas libraries without the MKL libraries. Then,
modify TeNeS/CMakefile.txt find_package(ScaLAPACK REQUIRED) string(REGEX REPLACE ";" " " SCALAPACK_LIBS "${SCALAPACK_LIBRARIES}") -> find_package(ScaLAPACK REQUIRED) string(REGEX REPLACE ";" " " SCALAPACK_LIBS "${SCALAPACK_LIBRARIES}") set(SCALAPACK_LIBS ${SCALAPACK_LIBRARIES})
and add -DSCALAPACK_LIBRARIES="-L/ -lscalapack [-lgfortran -lifcore]", when you execute cmake.