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
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