Dear WIEN2k users,
I am trying to do an AFM GGA+U simulation on GdMnO3, for this I created
a supercell to define the up and down spins and every time I run the
simulation with U, it crashes in the first cycle with the message
"forrtl: severe (39): error during read, unit 9, file
(...)/case.vecto
Try a different ifort compiler version or a different compiler (such as
gfortran). That error is likely to be caused by a bug in the version of
the compiler that you are using:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14923.html
https://www.mail-archive.com/wien@zeus.th
Installed the version 18.0.0 of ifort and it is now working.
Thank you very much.
Best regards,
Rui Costa.
---
Rui Mário Costa
up201100...@fc.up.pt
Estudante
FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DO PORTO
Rua do Campo Alegre, s/n, 4169-007 Porto, Portugal
www.fc.up.pt [1]
A 2017-10-04 1
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