Done.
Gustavo.
On Tue, Jun 9, 2009 at 3:02 PM, Scott Brozell<sbrozell.rci.rutgers.edu> wrote:
> 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.
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
> _______________________________________________
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>
--
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 - 08:28:15 PDT
