[Pw_forum] GIPAW: error in output

[Lorenzo Paulatto]

You could try to compile using this option (all together, without spaces):
-ffpe-trap=invalid,zero,overflow,underflow,denormal	
to force the code to crash at the first appearance of NaN, this could help  
track down the source of the problem.



On Tue, 25 Oct 2011 18:18:58 +0200, Carlo Nervi <carlo.nervi at unito.it>  
wrote:

> Hello,
> I tried to compile using the GOTO2 BLAS libs, but I got the same error
> in gipaw.
>
> So I tried to compile all with gfortran 4.4.5, but again I got the same
> NaN message, with again the following:
>
>       Computing the magnetic susceptibility     isolve=0     
> ethr=0.1000E-13
>       k-point #    1 of     1      pool #  1
>       ik   1 ibnd  16 linter: root not converged  0.651E+09
>       ik   1 ibnd  16 linter: root not converged  0.261E+30
>       ik   1 ibnd  16 linter: root not converged  0.362E+30
>       End of magnetic susceptibility calculation
>
> I'm getting frustrated...
>
> What is strange is that pw.x compiled with gfortran 4.6.1 is apparently
> doing very well. This is not the case of gipaw....
>
> 	Carlo
>


-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
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