[QE-users] Again Fatal error in PMPI_Comm_free

[Michal Husak]

Hi

I had recompiled QE for a sueprocmputer using Intel Fortran ...

Ale tests (including MPI version) pass through without any errors ...

When I run QE on some real data I get (1 node 128 MPI parallelization) :

  Fatal error in PMPI_Comm_free:  Invalid communicator, error stack:

This issue was already mentioned by  Mr. Yang LIU in relation to 
single / multiple type of atom calculation ...
Solution was to run
pw.x -ndiag 1

With -ndiag 1 the error was handled on my side as well ...
But I do work with multiple atoms from beginning so it can not be the 
same problem ...

Any idea what can be wrong ?

Michal Husak
UCT Prague