[AMBER-Developers] ips.f::aips_sumrc() is not using nfftdim2 and nfftdim3

From: Mark Williamson <mjw.sdsc.edu>
Date: Tue, 02 Feb 2010 13:18:56 -0800

Dear all,

In the process of resolving a gfortran compiler warning in the ips.f
code, I discovered that the subroutine aips_sumrc is not using nfftdim2
or nfftdim3:

         gfortran -Wall -c -O0 -ffree-form -o ips.o _ips.f
          In file _ips.f:1871

         Warning: Unused variable nfftdim3 declared at (1)
          In file _ips.f:1871

         Warning: Unused variable nfftdim2 declared at (1)

The only place in which nfftdim1 is used within this subroutine is in
the definition of some array sizes:

    _REAL_ q(2,nfft3,nfftdim1,nfft2),w(2,nfft3,nfftdim1,nfft2)
    _REAL_ elen(2,nfft3,nfftdim1,nfft2),vdwn(2,nfft3,nfftdim1,nfft2)
    _REAL_ qxx(2,nfft3,nfftdim1,nfft2),wxx(2,nfft3,nfftdim1,nfft2)
    _REAL_ qxy(2,nfft3,nfftdim1,nfft2),wxy(2,nfft3,nfftdim1,nfft2)
    _REAL_ qxz(2,nfft3,nfftdim1,nfft2),wxz(2,nfft3,nfftdim1,nfft2)
    _REAL_ qyy(2,nfft3,nfftdim1,nfft2),wyy(2,nfft3,nfftdim1,nfft2)
    _REAL_ qyz(2,nfft3,nfftdim1,nfft2),wyz(2,nfft3,nfftdim1,nfft2)
    _REAL_ qzz(2,nfft3,nfftdim1,nfft2),wzz(2,nfft3,nfftdim1,nfft2)

I am not familar with this code, or with what this routine is meant to
be doing, but the non-use of the nfftdim2 and nfftdim3 parameters above
is suspicious and looks like it could be the result of a *possible* cut
and paste typo. I am probably wrong, but can anyone comment on this?

Mark Williamson, Post Doc
Walker Molecular Dynamics Group
Room 395E
San Diego Supercomputer Center
9500 Gilman Drive
La Jolla, CA 92093-0505
Email:  mjw at sdsc.edu
Office: 858-246-0827
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Received on Tue Feb 02 2010 - 13:30:03 PST
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