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 Fri May 29 2009 - 01:13:03 PDT
