Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Comment : Intel MKL error #33

Open
TakafumiSuzuki opened this issue Nov 15, 2020 · 0 comments
Open

Comment : Intel MKL error #33

TakafumiSuzuki opened this issue Nov 15, 2020 · 0 comments

Comments

@TakafumiSuzuki
Copy link

TakafumiSuzuki commented Nov 15, 2020

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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

2 participants