[gmx-users] RE: gromacs installation

Li, Hualin Hualin.Li at uth.tmc.edu
Tue Oct 11 17:34:58 CEST 2011

Oh, I did installation on supercomputer before. Because you are not root user, in the step "./configure", maybe you should use "./configure --prefix=/home/yourname/..." to change the default installation directory.

Just my two cents. Hope it helps.

From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of Chunxia Gao [chunxia.gao at chem.gu.se]
Sent: Tuesday, October 11, 2011 10:32 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] gromacs installation

Dear all:

I was wondering did any one try to install the gromacs 4.5.X in your own account of supercomputer cluster? I tried to do this, and I had some error messages showed up.

First, for fftw installation, I did

./configure --enable-threads --enable-float --prefix=/home/chunxia/fftw
make install

everything is fine.

and then I went to the gromacs directory,

export CPPFLAGS="-I/home/chunxia/fftw/include"
export LDFLAGS="-L/home/joe/chunxia/lib"

In the "make" step, it showed the error message

"autom4te:can not create /tmp/am4t6630.19723:permission denied" at /usr/bin/autom4te line 942

make:*** [configure] Error 1"

How can I solve this problem? Many thanks.



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