Invalid floating when calling DGEQRF

Zapata__Felipe — Fri, 18 Jan 2019 11:12:11 GMT

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.f90#L241

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.

the similar as https:/

Gennady_F_Intel — Mon, 21 Jan 2019 15:32:00 GMT

the similar as https://software.intel.com/en-us/forums/intel-math-kernel-library/topic/802640

topic Invalid floating when calling DGEQRF in Intel® oneAPI Math Kernel Library

Invalid floating when calling DGEQRF

the similar as https:/