[Pw_forum] GIPAW: error in output

Carlo Nervi carlo.nervi at unito.it
Tue Oct 25 18:18:58 CEST 2011


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

-- 
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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
http://lem.ch.unito.it/


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