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
Received on Mon Jul 06 2009 - 08:28:10 PDT
