I am using the DGEQRF subroutine to implement an orthogonalization using the QR factorization. Compiling and running the code using gfortan and MKL works well but when I try ifort and MKL I get the following error:
forrtl: error (65): floating invalid
Details:
ifort version: ifort (IFORT) 19.0.1.144 20181018
MKL version: parallel_studio_xe_2019_update1_cluster_edition
The source code can be found at: https://github.com/NLESC-JCER/Fortran_Davidson
The traceback option points me to the following line of the code:
https://github.com/NLESC-JCER/Fortran_Davidson/blob/master/src/davidson....
I am compiling the code using cmake like:
cmake -H. -Bbuild -DCMAKE_Fortran_COMPILER=ifort -DCMAKE_BUILD_TYPE=Debug
then
cmake --build build
Finally I run the code like:
./bin/main
I really appreciate any help you can provide.
Best,
Felipe Z.