[Pw_forum] pw_langevin test

Ian Dunn iansdunn at gmail.com
Sun Jun 19 01:48:16 CEST 2016


Hi,

I'm trying to run the tests for version 5.4.0 of QE.  The two pw_langevin
tests fail as shown below.  This is the result of running "make" from
within the test-suite directory.  Please let me know if I can provide more
helpful information.  Any idea how to fix these failing tests?

Best,
Ian

     Program PWSCF v.5.4.0 starts on 18Jun2016 at 19:43:37

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors
     Reading input from langevin.in

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_ncpp (1):
     pseudo file is empty or wrong
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
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