[gmx-users] grompp error with cpp
David van der Spoel
spoel at xray.bmc.uu.se
Sat Mar 24 08:52:42 CET 2007
toma0052 wrote:
> Hello,
> I just installed Gromacs on my windows machine under cygwin, and
> everything seemed to go fine with the installation and whatnot. Initially,
> when I tried to run a simulation, I obtained the error that Gromacs found the
> number of coordinates in my .top file to be 0, because it could not find the
> cpp. From the mailing list archives, I gathered that Gromacs was checking
> for cpp in /lib/cpp whereas in cygwin the cpp is in /bin/cpp. So, as in the
> post, I created a link in /lib pointing to /bin/cpp. I ran a simulation, and
> everything went fine. Now, I am trying to run another simulation, and I am
> running into the same problem as before. When I execute grompp, I get this
> error:
>
> Back Off! I just backed up md_shear_run.mdp to ./#md_shear_run.mdp.2#
> checking input for internal consistency...
> ...ling /lib/cpp
> : No such file or directory
> cpp exit code: 32512
replace /lib/cpp with /bin/cpp (with or without .exe) in the mdp file
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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