[gmx-users] Installing GROMACS 4.6.7 on Intel Cluster

[Mark Abraham]

Hi,

Set CMAKE_INSTALL_PREFIX to where you want Gromacs to be installed so that
you know where it is and can find it. Do not choose the same directory as
the tarball unpacks to! I suspect this is leading to some infinite loop
while trying to install new copies of files that you just installed because
you just installed new copies of the files you just installed...

Mark

On Mon, Nov 10, 2014 at 1:12 AM, Agnivo Gosai <agnivogromacs14 at gmail.com>
wrote:

> 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.
> --
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