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[ESPResSo] Problems in Running Sample Scripts
From: |
Lorenzo Isella |
Subject: |
[ESPResSo] Problems in Running Sample Scripts |
Date: |
Thu, 4 Oct 2007 16:42:12 +0200 |
Dear All,
I think I solved most of my problems with the Espresso and VMD
installation (I can now run the tutorial tcl file), but I am
experiencing problems with some other sample scripts, see e.g. what
happens next:
$ ./Espresso harmonic-oscillator.tcl
0: Script directory: /home/iselllo/Espresso/lib/espresso/scripts
*******************************************************
* *
* - Espresso - *
* ============ *
* A MPI Parallel Molecular Dynamics Program *
* *
* *
* (c) 2002-2006 *
* Max-Planck-Institute for Polymer Research *
* Mainz, Germany *
* *
*******************************************************
=======================================================
= Sample script 4: harmonic_oscillator.tcl =
=======================================================
Program Information:
ESPResSo: 2.0.2l, Last Change: April 17th, 2007
{ Compilation status { MPI fake } { FFTW2 } { ELECTROSTATICS } {
LENNARD_JONES } }
{ Debug status { MPI_CORE FORCE_CORE } }
periodic cannot be set since PARTIAL_PERIODIC not configured.
while executing
"setmd periodic 0 0 0"
(file "harmonic-oscillator.tcl" line 72)
I wonder if this is due to some mistake I made during the compilation
of espresso (should I have used some flag?).
Kind Regards
Lorenzo
- [ESPResSo] Problems in Running Sample Scripts,
Lorenzo Isella <=