[gmx-developers] pgf90 and gromacs
jmaddox at uci.edu
Tue Feb 1 00:47:11 CET 2005
Dear GMX Developers,
I encountered a few minor problems compiling gmx with fortran enabled
usig pgf compilers
on a 64-bit opteron machine. I found it necessary to make the following
Errors compiling the automatically generated "src/gmxlib/innerf.f" were
changing all "X" characters in the fortran block data to "Z" in the
There were also problems linking to the pgf libraries via the "FLIBS"
variable in the configure script. There was a conflict regarding
"fio_open" "fio_close" and "fio_rewind" which appear in both the
Portland Group's libraries as well as "gmxlib". I added a prefix "gmx"
to all references to these functions in the "src/gmxlib" directory.
Affected files were: enxio.c, gmxfio.c, tpxio.c, trnio.c, trxio.c, and
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