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Re: [ESPResSo-users] ADRess trouble
From: |
Olaf Lenz |
Subject: |
Re: [ESPResSo-users] ADRess trouble |
Date: |
Tue, 06 Sep 2011 09:51:39 +0200 |
User-agent: |
Mozilla/5.0 (X11; Linux i686 on x86_64; rv:6.0.1) Gecko/20110830 Thunderbird/6.0.1 |
Hi!
Have a look at the User's Guide, chapter 3.4 "myconfig.h: Activating and
deactivating features".
Olaf
On 09/06/2011 09:55 AM, Nicola Fortunati wrote:
> Hi Espresso users,
>
> i want to install *ADRESS FEATURE* in my *ESPRESSO CODE*.
> After *compile*, *make* and *make check* i tested Adress tcl script and
> ESPRESSO returned this message:
>
> address@hidden espresso-3.0.1]# ./Espresso ./samples/adress/Adress_t.tcl
> 0: Script directory: /home/nicolafortunati/Scrivania/espresso-3.0.1/scripts
> *******************************************************
> * *
> * - ESPResSo - *
> * ============ *
> * A Parallel Molecular Dynamics Program *
> * *
> * (c) 2010,2011 *
> * The ESPResSo project *
> * *
> * (c) 2002,2003,2004,2005,2006,2007,2008,2009,2010 *
> * Max-Planck-Institute for Polymer Research *
> * Mainz, Germany *
> * *
> *******************************************************
>
> ESPResSo is free software: you can redistribute it and/or modify
> it under the terms of the GNU General Public License as published by
> the Free Software Foundation, either version 3 of the License, or
> (at your option) any later version.
>
> ESPResSo is distributed in the hope that it will be useful,
> but WITHOUT ANY WARRANTY; without even the implied warranty of
> MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
> GNU General Public License for more details.
>
> You should have received a copy of the GNU General Public License
> along with this program. If not, see <http://www.gnu.org/licenses/>.
>
>
> =======================================================
> = Script: Adress_t.tcl =
> =======================================================
>
> Program Information:
> ESPResSo: 3.0.1
> { 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 } }
>
> Adress is not compiled in (change config.h).
> while executing
> "adress set topo $topo_kind width [expr $ex_width*0.5] $hyb_width center
> x $ex_center wf $wf "
> (file "./samples/adress/Adress_t.tcl" line 65)
>
> What can i do??I think ADRESS is compiled!!
> Do i change */espresso-3.0.1/src/config.h* or
> */espresso-3.0.1/myconfig-sample.h*????And what do i change???
>
> Thanx
--
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Pfaffenwaldring 27, D-70569 Stuttgart
Phone: +49-711-685-63607
olenz.vcf
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