[gmx-users] gmx bins from a box to another
David van der Spoel
spoel at xray.bmc.uu.se
Mon Dec 6 13:25:27 CET 2004
On Mon, 2004-12-06 at 10:09 -0200, Alan Wilter Sousa da Silva wrote:
> Dear Prof. van der Spoel,
> Once again about:
> > Might be dynamic libraries. What's the error?
> I did a gmx compilation (intel 8.1 with -O3 -static-libcxa) to my home dir
> and tried to export it to our Opteron Cluster (which I'm not its
> administrator). However, there, my HOME=/people/ufrj_biof/alan instead
> /home/alan (at my local box).
> So, even changing GMXRC files, trying to run grompp I got that:
> calling /lib/cpp...
> topol.top:347:19: spc.itp: Arquivo ou diretório não encontrado
> cpp exit code: 256
> Tried to execute: '/lib/cpp -I/home/alan/gromacs/top topol.top >
> The '/lib/cpp' command is defined in the .mdp file
> processing topology...
> Fatal error: No such moleculetype SOL
Is you GMXLIB directory pointing to the right place?
> So, I would appreciate any tip here.
> Thanks in advance,
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://xray.bmc.uu.se/~spoel
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