[QE-users] problem with neb.x

[Rutika Savaliya]

Dear colleagues,

I have found a problem when running neb calculation for adsorption of CH4 on MoN surface splitting to CH3 on Mo and H on N. I have attached the input file for the calculation. The error shown will running on Compute Canada Server, its crash down with an error of following:


  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%      task #        30
     from  path_read_namelists  : error #        19
      reading namelist path
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I have been using qe version 6.1 for the calculation on cloud server of CEDAR on COMPUTE CANADA.

Please give me some advice to solve this error.

Regards,
Rutika Savaliya
Department of Chemical Engineering
McGill University


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