[QE-users] error with virtual_v2.x

[Lucian D. Filip]

Hello all,


I have encountered a weird error with virtual_v2.x in QE v7.1

I get the following when I try to mix any two US pseuso potentials:

  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine Virtual (1):
      different rinner are not implemented (yet)
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...
*** The MPI_Comm_f2c() function was called before MPI_INIT was invoked.
*** This is disallowed by the MPI standard.
*** Your MPI job will now abort.
[hidra:77620] Local abort before MPI_INIT completed completed 
successfully, but am not able to aggregate error messages, and not able 
to guarantee that all other processes were killed!

On this particular machine I have installed QE 7.1 a few minutes ago 
with the linux gfortran distribution. On my cluster I have QE v7.0 with 
interl fortran and I get the same thing.

I am trying to mix Ba and Sr but I get the same error for Ti and Zr. The 
last two used to work in previous versions.

Anyone know what is going on?

Cheers

-- 
*Dr. Lucian Dragos Filip*
National Institute of Materials Physics
Atomistilor str. 405A, PO Box MG. 7
Magurele, 077125
Bucharest, Romania
E-mail: lucian.filip at infim.ro
Website: https://lucianfilip.wordpress.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20221028/a803803a/attachment.html>