[gmx-users] Problems double precision

Marco Fioroni fioroni at organik.chemie.uni-leipzig.de
Fri Apr 12 14:03:13 CEST 2002

I have comiled in single precision the gromacs-3.1.2 version, no
problem, but I need the double precision. I work with a P 4 and linux
suse 7.3 and double precision fftw
I'm installing everything as root.

after the     makedistclean      I start to use:

./configure --disable-float      and than


the final output is:

fftw.a -lm -lSM -lICE -lX11
../gmxlib/.libs/libgmx_d.a(maths.o): In function `gmx_erf':
maths.o(.text+0x47c): undefined reference to `SET_LOW_WORD'
maths.o(.text+0x49a): undefined reference to `__ieee754_exp'
maths.o(.text+0x4c5): undefined reference to `__ieee754_exp'
../gmxlib/.libs/libgmx_d.a(maths.o): In function `gmx_erfc':
maths.o(.text+0x979): undefined reference to `SET_LOW_WORD'
maths.o(.text+0x997): undefined reference to `__ieee754_exp'
maths.o(.text+0x9c2): undefined reference to `__ieee754_exp'
collect2: ld returned 1 exit status
make[3]: *** [pdb2gmx] Error 1
make[3]: Leaving directory `/gromacs-3.1.2/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/gromacs-3.1.2/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/gromacs-3.1.2/src'
make: *** [all-recursive] Error 1

I have not this error in the single but only when compiling in double.
what's happen?

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