Hi Scott,
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.
>> >
>
> _______________________________________________
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> 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 - 08:28:11 PDT
