[gmx-users] Compiling gmx-3.1.2 double prec.: no success

[Alan Wilter Sousa da Silva]

Hi List,

	I'm trying to compile GMX-3.1.2 with double precision on MDK box
using both gnu and intel compilers but I got it instead:

>./configure --prefix=/home/alan/gmx-3.1.2  --disable-float
--program-suffix=_d
.....
>make
.....
cc -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-malign-double -funroll-all-loops -o pdb2gmx hizzie.o xlate.o specbond.o
ter_db.o h_db.o genhydro.o pdb2top.o gen_ad.o gen_dum.o pgutil.o resall.o
hackblock.o add_par.o topexcl.o toputil.o topdirs.o pdb2gmx.o
../mdlib/.libs/libmd_d.a -L/usr/X11R6/lib ../gmxlib/.libs/libgmx_d.a -lnsl
/usr/local/lib/librfftw.so /usr/local/lib/libfftw.so
/usr/X11R6/LessTif/Motif2.0/lib/libXm.so -lm -lXt -lSM -lICE -lXext -lXp
-lX11 -Wl,--rpath -Wl,/usr/local/lib -Wl,--rpath
-Wl,/usr/X11R6/LessTif/Motif2.0/lib -Wl,--rpath -Wl,/usr/local/lib
-Wl,--rpath -Wl,/usr/X11R6/LessTif/Motif2.0/lib
../gmxlib/.libs/libgmx_d.a(maths.o): In function `gmx_erf':
maths.o(.text+0x49f): undefined reference to `SET_LOW_WORD'
maths.o(.text+0x4bc): undefined reference to `__ieee754_exp'
maths.o(.text+0x4e7): undefined reference to `__ieee754_exp'
../gmxlib/.libs/libgmx_d.a(maths.o): In function `gmx_erfc':
maths.o(.text+0x997): undefined reference to `SET_LOW_WORD'
maths.o(.text+0x9b4): undefined reference to `__ieee754_exp'
maths.o(.text+0x9df): undefined reference to `__ieee754_exp'
collect2: ld returned 1 exit status
make[3]: ** [pdb2gmx] Error 1
make[3]: Leaving directory `/home/alan/gromacs-3.1.2/src/kernel'
make[2]: ** [all-recursive] Error 1
make[2]: Leaving directory `/home/alan/gromacs-3.1.2/src'
make[1]: ** [all] Error 2
make[1]: Leaving directory `/home/alan/gromacs-3.1.2/src'
make: ** [all-recursive] Error 1


As seen it stops at 'pdb2gmx'.  With 'make mdrun' I got success.  It also
compile right with single precision and even with mpi.  GMX 3.0.x offered
no problems before.

I would thank any help.

Cheers,

-----------------------
Alan Wilter S. da Silva
-----------------------
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil