[gmx-users] grompp problems

[Chng Choon Peng]

Hi,

  Btw, I still maintain a GROMACS how-to-install webpage for Mac OS X
(PowerMac G4 and Xserves using LAM/MPI) and IA32/64 Linux using
MPICH/MPICH-GM.

Please refer to:
http://www.bii.a-star.edu.sg/~cpchng/GROMACS_HowTo.html

Also, some benchmarks on PIII/4/Athlon/UltraSPARC are also available.


Regards,
choon peng

On 3/11/03 1:27 PM, "Erik Lindahl" <lindahl at stanford.edu> wrote:

> Hi Matthew,
> 
> On 10.2.4 it's /usr/bin/cpp
> 
> I have a vague memory that it was some other long/strange path on
> 10.1.x though...
> 
> Cheers,
> 
> Erik
> 
> On Monday, Mar 10, 2003, at 21:15 US/Pacific, Matthew Lardy wrote:
> 
>> 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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