Hi,
http://www.pgroup.com/support/release_tprs_80.htm
does not seem to list any relevant bug fixes from 8.0-5 to 8.0-6.
Gustavo, please checkin your patch for xray_interface.f
although I probably won't try to fix these earlier errors yet.
thanks,
Scott
On Tue, Jun 09, 2009 at 02:46:14PM -0400, Gustavo Seabra wrote:
>
> I don't get the same errors as you. I'm using a cray-XT4 machine with
> the compiler:
>
> $ pgf90 -V
>
> pgf90 8.0-6 64-bit target on x86-64 Linux -tp k8-64e
> Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved.
> Copyright 2000-2009, STMicroelectronics, Inc. All Rights Reserved.
>
> with those changes, it works for me. Should I check that in? (I was
> avoiding touch someone else's code)
>
> Gustavo.
>
> On Tue, Jun 9, 2009 at 2:25 PM, Scott Brozell<sbrozell.rci.rutgers.edu> wrote:
> > Hi,
> >
> > Please send your compiler version.
> > I still get compilation errors.
> > (Joe was notified of some of these.)
> >
> > pgf90 8.0-5 64-bit target on x86-64 Linux -tp k8-64e
> > cpp -traditional -P -DBINTRAJ xray_utils.f > _xray_utils.f
> > pgf90 -c -O1 -Mfree -o xray_utils.o _xray_utils.f
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 80)
> > 0 inform, 0 warnings, 1 severes, 0 fatal for coordinate_transform_inverse
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 115)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 116)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 117)
> > 0 inform, 0 warnings, 3 severes, 0 fatal for matrix3_inverse_pure
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 131)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 132)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 133)
> > 0 inform, 0 warnings, 3 severes, 0 fatal for matrix3_inverse_det
> >
> > pgf90 7.1-5 64-bit target on x86-64 Linux -tp k8-64e
> > cpp -traditional -P -DBINTRAJ xray_utils.f > _xray_utils.f
> > pgf90 -c -O1 -Mfree -o xray_utils.o _xray_utils.f
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 80)
> > 0 inform, 0 warnings, 1 severes, 0 fatal for coordinate_transform_inverse
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 115)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 116)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 117)
> > 0 inform, 0 warnings, 3 severes, 0 fatal for matrix3_inverse_pure
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 131)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 132)
> > PGF90-S-0153-Array objects are not conformable (_xray_utils.f: 133)
> > 0 inform, 0 warnings, 3 severes, 0 fatal for matrix3_inverse_det
> > PGF90-S-0000-Internal compiler error. size_ast_of: unexpected ast type 4 (_xray_utils.f: 565)
> > 0 inform, 0 warnings, 1 severes, 0 fatal for write_header
> >
> >
> > pgf90 7.0-4 64-bit target on x86-64 Linux
> > pgf90 -c -O1 -Mfree -o xray_utils.o _xray_utils.f
> > PGF90-S-0000-Internal compiler error. size_ast_of: unexpected ast type 4 (_xray_utils.f: 565)
> >
> > Scott
> >
> > On Tue, Jun 02, 2009 at 10:06:46PM -0400, Gustavo Seabra wrote:
> >> Just to close this: It turns out that the problem was a little further
> >> in that same print statement:
> >>
> >> merge(residue_chainid(ires),' ',pdb_use_segid), &
> >>
> >> Aparently merge wasn't recognizing the type of residue_chainid(ires).
> >> My fix for it was to define:
> >>
> >> character(len=4) :: this_residue_chainid
> >>
> >> [rigth before the print statement:]
> >>
> >> this_residue_chainid = residue_chainid(ires)
> >>
> >> [and substitute that line by:]
> >>
> >> merge(this_residue_chainid,' ',pdb_use_segid)
> >>
> >> With those changes this code now compiles with pgf90.
> >>
> >> On Thu, May 28, 2009 at 4:01 PM, David A. Case <case.biomaps.rutgers.edu> wrote:
> >> > On Thu, May 28, 2009, Gustavo Seabra wrote:
> >> >
> >> >> Hi, when compiling amber11 with pgf90 on the XT5, I'm getting this error:
> >> >>
> >> >> cpp -traditional -P -DBINTRAJ xray_interface.f > _xray_interface.f
> >> >> pgf90 -c -O1 -Mfree -o xray_interface.o _xray_interface.f
> >> >> PGF90-S-0074-Illegal number or type of arguments to merge - keyword
> >> >> argument fsource (_xray_interface.f: 509)
> >> >> 0 inform, 0 warnings, 1 severes, 0 fatal for xray_write_pdb
> >> >> make: *** [xray_interface.o] Error 2
> >> >
> >> > Other compilers seem fine with this, and the code looks legit, albeit
> >> > exploring the edges of the Fortran standard.
> >> >
> >> > Workaround is probably just to always write ATOM, and not try to make any
> >> > ATOM/HETATM distinctions.
> >> >
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
>
>
>
> --
> Gustavo Seabra
> Postdoctoral Associate
> Quantum Theory Project - University of Florida
> Gainesville - Florida - USA
> -------------------------------------------------------------------------------------------
> Q: Why do mountain climbers rope themselves together?
> A: To prevent the sensible ones from going home.
>
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Received on Mon Jul 06 2009 - 08:28:12 PDT
