[Pw_forum] Problems with Espresso-4.0.1

Amos Leffler amosleffler at sbcglobal.net
Sat Aug 16 01:28:05 CEST 2008


Dear Forum,
        I have been trying to get the espresso-4.0.1 to run totally for a while.  I have been using g95_x86_64 compiler and mkl 10.0.3.020 library in serial mode.  The program compiles without errors but only some of the examples run properly.  Example01 runs but example02 and example03 will not.  In both cases the error is in the phonon routines with the output:
        running the phonon calculation at X... STOP 2
Error condition encountered during test: exit status = 2  .
        The difficulty I have is to find where the error is occuring in the program.  Is there bad input from pw.x or is it somewhere in ph.x?  Is there any way to debug the program or is there a flow sheet available? Both pw.x and ph.x are large directories with many files and unless you know the organization of the program finding errors is very difficult.  The Users Guide does not seem to have information of this sort or references to where it could be found.  Any help would be most appreciated.
                                                                                    Amos Leffler
                                                                                    Unaffiliated
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