Re: [ESPResSo-users] Simulation of dipole system

[Sreekumari Aparna]

Hello,

I have created myconfig.h with the features "MAGNETOSTATICS" "ROTATION" and 
"DIPOLES" and recompiled the ESPResSo. 
"code_info" shows the following :

Program Information: 
ESPResSo: 3.0.0
{ Compilation status { FFTW } { PARTIAL_PERIODIC } { ELECTROSTATICS } { MASS } 
{ EXTERNAL_FORCES } { CONSTRAINTS } { EXCLUSIONS } { COMFORCE } { COMFIXED } { 
TABULATED } { LENNARD_JONES } { LENNARD_JONES_GENERIC } { MORSE } { BUCKINGHAM 
} { SOFT_SPHERE } { LJCOS } { LJCOS2 } { BOND_ANGLE_COSINE } { NPT } }
{ Debug status { MPI_CORE FORCE_CORE } }

Regards,
Aparna
________________________________________
From: address@hidden address@hidden on behalf of Olaf Lenz address@hidden
Sent: Wednesday, August 03, 2011 10:26 AM
To: address@hidden
Subject: Re: [ESPResSo-users] Simulation of dipole system

Hi!

On 08/03/2011 10:10 AM, Sreekumari Aparna wrote:
> Shouldn't I active the feature "ROTATION". In User's Guide its
> telling to active. I have activated all the three features. I am
> still getting this error  "" unknown particle parameter "dip" while
> executing  "part 0 dip $dx $dy $dz dipm 1.0 type 0 mass 1.0" ""

You should activate at least "ROTATION", "MAGNETOSTATICS" and "DIPOLES"
in myconfig.h.
Did you recompile ESPResSo after you changed the parameters?
Just try running ESPResSo interactively and use the command "code_info".
Does it show the features to be activated?

Olaf

--
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607