[gmx-users] Installing GROMACS 4.6.7 on Intel Cluster

[Agnivo Gosai]

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 :-

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

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

/work/gb_lab/agosai/GROMACS/gromacs-4.6.5/build

This is my last installation command :

/work/gb_lab/agosai/GROMACS/cmake-2.8.11/bin/cmake ..
-DGMX_BUILD_OWN_FFTW=ON
-DCMAKE_INSTALL_PREFIX=/work/gb_lab/agosai/GROMACS/gromacs-4.6.5
-DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc

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
Subject:

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?

--
Szilárd


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.