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.
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.
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.
>
> ...dac
>
>
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Received on Wed Jun 03 2009 - 01:13:33 PDT
