[gmx-developers] compilation of current gmx cvs head code

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Tue Aug 29 00:36:10 CEST 2006

hi everybody,

please find attached a patch that contains changes needed to compile the
current gmx-cvs code.

i'm also currently revising the changes made by shawn brown and me
to run gromacs on cray xt3 machines and could use recommendations
on a name change.

the current fio_XXXX() routines collide with internal routines in the
PGI compiler fortran(?) runtime. since this machine only allows static
linkage, there is a high chance of getting a messed up link (unless one
uses manual partial linking with ld -r). i'd thus propose to change the
names of those subroutines into something less common, e.g.
gmx_fio_XXX, gmxfio_XXX, gmxio_XXX, fio_XXX_gmx, or...
suggestions are highly welcome.

Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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