[Pw_forum] GIPAW: error in output

[Carlo Nervi]

Okay,
thanks again.
addr2line -e /home/nervi/src/QE432/espresso-4.3.2/GIPAW/src/gipaw.x 0x44e576

/home/nervi/src/QE432/espresso-4.3.2/qe-gipaw-4.3.2/src/cgsolve_all.f90:225

It should be the line with dclamda (see below) - no idea how to furter 
help the developers ;-)
	Carlo


#ifdef __PARA
      call mp_sum(  a(1:lbnd), intra_pool_comm )
      call mp_sum(  c(1:lbnd), intra_pool_comm )
#endif
      lbnd=0
      do ibnd = 1, nbnd
         if (conv (ibnd) .eq.0) then
            lbnd=lbnd+1
            dclambda = CMPLX( - a(lbnd) / c(lbnd), 0.d0,kind=DP)
            !
            !    move to new position
            !
            call zaxpy (ndmx*npol, dclambda, h(1,ibnd), 1, dpsi(1,ibnd), 1)
            !
            !    update to get the gradient
            !
            !g=g+lam
            call zaxpy (ndmx*npol, dclambda, t(1,lbnd), 1, g(1,ibnd), 1)
            !
            !    save current (now old) h and rho for later use
            !
            call zcopy (ndmx*npol, h(1,ibnd), 1, hold(1,ibnd), 1)
            rhoold (ibnd) = rho (ibnd)
         endif
      enddo


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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
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