Dear Eugenio, Dear all: > Dear brazilian coleague, I didn't find anythig wrong with your > input. So, I succeded and it is still > running (is now in the > first iteration..). Anything wasnt changed... Best regards! Abra?o! > Egn
Motivated by your message, I re-run the calculation, but now using just ONE processor (before, I runned the calculation in four processors, using MPI). Now the program works! Thus, I have two questions: (i) Is it possible to be a version problem? I'm using the 4.3.2 version of the Quantum Espresso. (ii) I can be a compilation problem? In this case I supply other information: I runned other calculations for other supercell dimensions and using MPI (4 processors) and the calculations were fine! Best regards to all, Adriano ------------------------------------ Adriano de Souza Martins Professor Adjunto III Departamento de F?sica - ICEx Polo Universit?rio de Volta Redonda Universidade Federal Fluminense ------------------------------------ ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.