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

[Erik Lindahl]

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-1.2.2.1/bin/mpirun -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.

Hi,

Disable-float turns on double precision. Somewhat stupid name for the
option,
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
then
rerun configure!

Cheers,

Erik