[gmx-users] grompp problems

Matthew Lardy lardy at chemistry.ucsc.edu
Tue Mar 11 06:15:52 CET 2003


Hi all,

I am sure this is really simple, and probably has to do with something
that I forgot during the install, but I get this error when I run grompp
with the following line:

grompp_d -v -f em -c 2BBM_em -o em -p 2BBM

Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
checking input for internal consistency...
calling /lib/cpp...
sh: /lib/cpp: No such file or directory
cpp exit code: 32512
Tried to execute: '/lib/cpp  -I/usr/local/share/gromacs/top  2BBM.top >
grompp8AiWS2'
The '/lib/cpp' command is defined in the .mdp file
processing topology...
processing coordinates...
Fatal error: number of coordinates in coordinate file (2BBM_em.gro, 20271)
             does not match topology (2BBM.top, 0)


Where does /lib/cpp get filled?  I am running on Mac OS X.2.4, and have a
fresh install of fftw.  It seemed like everything was alright upon install
of that app, although it gave a wierd CFLAGS not set warning.  I should
note that pdb2gmx_d, genbox_d, and editconf_d all seem to have run fine.

Thanks for any help in advance,
Matthew




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