[gmx-users] MPICH, SMP, Routine gmx_tx ,--disable-nice

Erik Lindahl erik at theophys.kth.se
Fri Jan 4 17:31:00 CET 2002

Mehmet Suezen wrote:

> Hi All,
> Again an MPICH problem, I have re-compile the package as follows.
>       ./configure --prefix=/home/suzen/MDcodes/gromacs --enable-mpi
>                   --enable-share --disable-float
>                   --exec-prefix=/home/suzen/MDcodes/gromacs/linux
>                   --program-suffix="_mpi_d" --disable-nice
>       make mdrun
>       make install-mdrun
> and then run water example like:
> $ grompp_d -np 2 -f water.mdp -p water.top -c spc216.gro -o water.tpr
> $ gmxdump_d -s water.tpr | more
> $ /users/suzen/mpich- -np 2 -machinefile file_hosts
> /home/suzen/MDcodes/gromacs/linux/bin/mdrun_d -s water.tpr -o water.trr
> -c water_out.gro -v -g water.log -np 2
> Fatal error: Routine gmx_tx called in libnet.c, 49
> First of all what was the affect of --disable-float? Because when I
> didn`t use it, I had diffent kind of problem that
> I reported earlier.


Disable-float turns on double precision. Somewhat stupid name for the
but it was easier to use the same choice as the fftw package.

The gmx_tx error is most probably caused by a recompile with mpi when you
already had an old non-mpi compile left. Try "make distclean" first, and
rerun configure!



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