[gmx-users] Installing GROMACS 4.6.7 on Intel Cluster

Agnivo Gosai agnivogromacs14 at gmail.com
Mon Nov 10 01:12:53 CET 2014

Dr. Szilard :

Yes , firstly I move inside the unzipped gromacs-4.6.5 folder then I create
a build directory , then I run the cmake .. commands in the terminal. I
follow the installation guide.

As cmake 2.6.4 is installed in the root of the cluster and I need cmake 2.8
, so I installed it in this directory :-


And this is the path to the gromacs-4.6.5 build directory :


This is my last installation command :

/work/gb_lab/agosai/GROMACS/cmake-2.8.11/bin/cmake ..

What do you mean by source tree ? I beg your pardon for my ignorance but I
confess that I am a newcomer in the Linux world.

--------- Forwarded message ----------
From: "Szilárd Páll" <pall.szilard at gmail.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: Discussion list for GROMACS users <
gromacs.org_gmx-users at maillist.sys.kth.se>
Date: Mon, 10 Nov 2014 00:52:44 +0100

There is something *very* weird happening here, it looks like cmake
ends up in some kind of recursion and just before it crashes it is
installing in a directory which contains '/gromacs' about 300 times.

My first guess is that you are installing in the same directory where
your build (and source tree?) is. Is that the case?


On Mon, Nov 10, 2014 at 12:31 AM, Agnivo Gosai
<agnivogromacs14 at gmail.com> wrote:
> Dear Users
> Dr.Szilard : I searched in the web regarding the correct syntax and as you
> wrote in the last mail , ran it again.
> The generated log file is huge. 260 MB. So I am sending a Google Drive
> link. If possible kindly check and suggest further.
Thanks & Regards
Agnivo Gosai
Grad Student, Iowa State University.

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