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From: | Nicola Fortunati |
Subject: | [ESPResSo-users] ADRess trouble |
Date: | Tue, 06 Sep 2011 09:55:49 +0200 |
User-agent: | Mozilla/5.0 (X11; U; Linux x86_64; en-US; rv:1.9.2.20) Gecko/20110817 Fedora/3.1.12-1.fc14 Thunderbird/3.1.12 |
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 |
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