[Pw_forum] d3 errors in file reading

[matthieu verstraete]

Hello everyone,

I am trying to run d3 for a metal, and get a variety of error messages
which are not helpful. Does anyone know if it works properly in 4.2.1?
For the parallel executable I get

>>>
     from d3_readin : error #         1
     reading title

     stopping ...
<<<

which someone on the forum attributed to d3 using the wrong structures
for input file reading (Paolo Giannozzi was recommending going back to
v.1.x, which I will try eventually).

For the sequential executable the code gets further along, lists the
q-points and irreps, but then stops with:
>>>
     from davcio : error #        25
     error while reading from file

     stopping ...
<<<

I have _no_ idea what is going on. The phonons and ground state are
fine, I have calculated all the drho* files I need for each q-point
(right now I am just trying gamma), I am using norm-conserving psp and
I have looked through the code for some indication of what error 25 is
in davcio (unit number?), but to no avail. Does anyone know which file
is problematic?

Running on an IBM machine with xlf 12.1 (magerit in Spain)

Thanks!

Matthieu


-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Prof. Matthieu Verstraete

Universite de Liège
Institut de Physique, Bat. B5, 3/7
Allée du 6 aout, 17
B- 4000 Sart Tilman, Liège
Belgium