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Tue Jul 10 14:20:16 CEST 2007


     "configure ARCH=3Dcygwin F77=3Dg95 F90=3Dg95 CC=3Dgcc"
This all runs fine as does the "make all" command (although a few warnings=

about REAL(8)/COMPLEX(8) inconsistencies are issued by the compiler)=2E

When I try running a few examples they fail as follows

----------------------------------------

$ run=5Fexample

/c/users/oeffner/tmp/espresso-3=2E1/examples/example04 : starting

This example shows how to use pw=2Ex to perform molecular dynamics for
2- and 8-atom cells of Si starting with compressed bonds along (111)=2E

  executables directory: /c/Users/Oeffner/Tmp/espresso-3=2E1/bin
  pseudo directory:      /c/Users/Oeffner/Tmp/espresso-3=2E1/pseudo
  temporary directory:   C:/Users/Oeffner/tmp/espresso-3=2E1/tmp
  checking that needed directories and files exist=2E=2E=2E done

  running pw=2Ex as:  /c/Users/Oeffner/Tmp/espresso-3=2E1/bin/pw=2Ex=20

  cleaning C:/Users/Oeffner/tmp/espresso-3=2E1/tmp=2E=2E=2E done
  running the MD calculation for Si in a 2 atom cell=2E G-point=2E=2E=2EAt=
 line 103
of file error=2Ef90
Traceback: not available, compile with -ftrace=3Dframe or -ftrace=3Dfull
STOP 2
 done
  cleaning C:/Users/Oeffner/tmp/espresso-3=2E1/tmp=2E=2E=2E done
  running the MD calculation for Si in a 8 atom cell=2E G-point=2E=2E=2EAt=
 line 103
of file error=2Ef90
Traceback: not available, compile with -ftrace=3Dframe or -ftrace=3Dfull
STOP 2
 done
  cleaning C:/Users/Oeffner/tmp/espresso-3=2E1/tmp=2E=2E=2E done
  running the MD calculation for Si in a 2 atom cell=2E G3X-points=2E=2E=2E=
At line
103 of file error=2Ef90
Traceback: not available, compile with -ftrace=3Dframe or -ftrace=3Dfull
STOP 2
 done

/c/users/oeffner/tmp/espresso-3=2E1/examples/example04: done
----------------------------------------

One of the output files, si=2Emd8=2Eout, then reads as follows
-------------------------------------------
     Program PWSCF     v=2E3=2E1    starts =2E=2E=2E
     Today is 19Jun2006 at 14: 3: 6=20

     Ultrasoft (Vanderbilt) Pseudopotentials

     Current dimensions of program pwscf are:

     ntypx =3D 10   npk =3D 40000  lmax =3D  3
     nchix =3D  6  ndmx =3D  2000  nbrx =3D 14  nqfx =3D  8

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%=
%%
%%%
     from readpp : error #         3
     file /c/Users/Oeffner/Tmp/espresso-3=2E1/pseudo/Si=2Evbc=2EUPF not fo=
und
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%=
%%
%%%

     stopping =2E=2E=2E
-------------------------------------------

But on my system the Si=2Evbc=2EUPF is present as evident from the followi=
ng
command:

-------------------------------------------
$ ls $PSEUDO=5FDIR/Si=2Evbc=2EUPF
/c/Users/Oeffner/Tmp/espresso-3=2E1/pseudo/Si=2Evbc=2EUPF
-------------------------------------------


Does anyone know what could be wrong=3F This is the first time ever I've
worked with espresso so any advice would be welcome=2E

Thanks,

Rob

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