[Q-e-developers] Undefined variables in espresso

Paolo Giannozzi giannozz at democritos.it
Thu Apr 15 22:52:48 CEST 2010


On Apr 14, 2010, at 19:26 , Vittorio Zecca wrote:

> You may get away with undefined variables until the espresso
> environment (fortran run time, compiler, shell) zeroes allocated
> variables and zero is an acceptable initialization variable, but you
> are living dangerously.

I don't think it is that serious: there may be some components of arrays
that are not initialized, but they are never used. I run all examples  
with
initial value NaN for real and 12345678 for integer and nothing nasty
happened

> 9) example34: In VdW/CEGTERG.f90 line 306 CONV and EW are not
> conformable
> 10) example34: in VdW/SOLVE _E.f90 line 157 ET_C and ET have  
> different shapes.
> What is the fix?

I don't think it is worth to invest time in that piece of code (VdW)  
right now.
For the remaining cases, I'll try to have a look next week

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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