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<p>Hello all,</p>
<p><br>
</p>
<p>I have encountered a weird error with virtual_v2.x in QE v7.1</p>
<p>I get the following when I try to mix any two US pseuso
potentials:</p>
<p> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine Virtual (1):<br>
different rinner are not implemented (yet)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
*** The MPI_Comm_f2c() function was called before MPI_INIT was
invoked.<br>
*** This is disallowed by the MPI standard.<br>
*** Your MPI job will now abort.<br>
[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!</p>
<p>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. <br>
</p>
<p>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.</p>
<p>Anyone know what is going on?</p>
<p>Cheers<br>
</p>
<div class="moz-signature">-- <br>
<b>Dr. Lucian Dragos Filip</b><br>
National Institute of Materials Physics<br>
Atomistilor str. 405A, PO Box MG. 7<br>
Magurele, 077125<br>
Bucharest, Romania<br>
E-mail: <url><a class="moz-txt-link-abbreviated" href="mailto:lucian.filip@infim.ro">lucian.filip@infim.ro</a></url><br>
Website: <url><a class="moz-txt-link-freetext" href="https://lucianfilip.wordpress.com/">https://lucianfilip.wordpress.com/</a></url><br>
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