Re: Semiempirical Van der Waals correction and EPW
Posted: Fri Mar 01, 2019 9:42 pm
I switched software:
QE v6.3 ---> QE v6.4rc
OpenMPI 3.0 ---> OpenMPI 3.1
MKL 11.3.4 ---> MKL 2017
The error is gone.
PS: The important part was actually to switch from the intel compiler to the gnu compiler!
QE v6.3 ---> QE v6.4rc
OpenMPI 3.0 ---> OpenMPI 3.1
MKL 11.3.4 ---> MKL 2017
The error is gone.
PS: The important part was actually to switch from the intel compiler to the gnu compiler!