mobility calculation

[ilias-serifi]

Hello dear experts and users
I try to execute the tutorial of the school of 2024 , Exercise 2 done in Wednesday dedicated for drift mobility the epw1.in is stopped at this stage.
I think that is related to flikf and fliqf files defined in the tutorial file.
Can someone help me to solve this error.

Code: Select all

 Bloch2wanp:          7 /         12
     Bloch2wanp:          8 /         12
     Bloch2wanp:          9 /         12
     Bloch2wanp:         10 /         12
     Bloch2wanp:         11 /         12
     Bloch2wanp:         12 /         12

     Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file

     ===================================================================
     Memory usage:  VmHWM =       118Mb
                   VmPeak =       617Mb
     ===================================================================
     

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine loadqmesh_serial (1):
     Cannot load fine q points
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
-------------------------------------------------------------------------

Ilias
Best

[stiwari]

Hi Ilias,

Do you have the flkf and filqf file (both use the same file "GMKG.txt") in the same folder where you are running the tutorial? Attach your input if the problem is not solved.

Best regards,
Sabya.