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Re: [ESPResSo-users] hermit

From: Olaf Lenz
Subject: Re: [ESPResSo-users] hermit
Date: Thu, 15 Mar 2012 08:55:32 +0100
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On 03/14/2012 09:43 PM, Jiajia Zhou wrote:
Thanks Axel. I didn't quite get the need to active one short-range
interaction and ELECTROSTATICS. I was using the default setting.
Aren't ELECTROSTATICS and LENNARD_JONES already in the

Yes, they are. However, you should better create your own myconfig.h
instead of using the default myconfig, as it probably has more features
activated than you actually need, and thus may slow things down!

Before I had the trouble to link the libtcl*. With the help from
HLRS, I was able to finish the configure and make, and seems there
are no errors. The strange thing is that no Espresso binary is
created after the make. Could anyone help?

Where are you looking for the executable? Have you been looking in the
installation directory, in your case
/zhome/academic/HLRS/xmz/xmzzhouj/Espresso? The binary will be installed
there only after using "make install".

However, there is usually no need for "make install", instead you can
use the executable in the directory where you compiled ESPResSo (the
"build directory"). The executable is created in the src/ subdirectory
of the builddir, and in the builddir itself you'll find a symbolic link
to the executable.

The output after ./configure and make are in the attached files.

Just for the future: Instead of sending us the output of "configure", it
would be better to send us the file "config.log" that is created when
configure is called. It contains some more helpful information.

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

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