[gmx-developers] Error Gromacs Install from Git and gromacs tar
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jul 12 22:26:21 CEST 2009
Rodrigo faccioli wrote:
> I've tried to install the Gromacs from git repository. For this, I read
> http://www.gromacs.org/Developers/Git/Git_Tutorial . In this way, I
> executed the commands: git clone --mirror git://git.gromacs.org/gromacs
> and git clone git://git.gromacs.org/gromacs
> After that, I read quick and dirty installation in
> http://oldwiki.gromacs.org/index.php/quick_and_dirty_installation. I
> downloaded all programs which are listed there, except Gromacs because I
> got it from git repository :). The other change that I made was: I
> change the NCPU value for 2.
> I executed the commands which are shown for bash box. Moreover, when I
> execute the command ./configure --prefix=$SOFT --enable-mpi --with-gsl,
> I receive the error message: checking size of int... configure: error:
> cannot compute sizeof (int)
> See `config.log' for more details.
> I opened the config.log file and its last line shows configure: exit 77
> After this error, I downloaded the others Gromacs versions (4.05 and
> 4.0.4) from
> Moreover, these versions show the same error.
> So, I tried to understand where can be my error. When I remove the
> --enable-mpi option from configure command above, the command works fine.
> My doubt is what I made wrong. Unfortunately, I can't understand.
> My Operation System is Ubuntu 9.04 and I'm running on laptop Dell XPS.
> I thank any help and sorry if my question is so obvious and my English
do you have mpi installed?
Check the config.log, it looks like an MPI problem.
With the git sources you need to start by typing
> Rodrigo Antonio Faccioli
> Ph.D Student in Electrical Engineering
> University of Sao Paulo - USP
> Engineering School of Sao Carlos - EESC
> Department of Electrical Engineering - SEL
> Intelligent System in Structure Bioinformatics
> Phone: 55 (16) 3373-9366 Ext 229
> Curriculum Lattes - http://lattes.cnpq.br/1025157978990218
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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