[gmx-users] Plz suggest solution
David van der Spoel
spoel at xray.bmc.uu.se
Fri Oct 28 13:10:48 CEST 2005
On Fri, 2005-10-28 at 06:47 +0000, Dhananjay chandrashekhar joshi wrote:
>
> I am trying to install gromacs-3.3 on linux cluster havong 16 nodes.
> I was trying to install a parallel verson on single node. The steps
> which I have taken are as follows.
>
> 1. lam 3.0.1 installed
>
> 2. fftw-3.0.1 installed with doubled precision enabled.
> The command that I typed is ./configure --enable-threads
> --enable-sse2
> The fftw successfully installed.
>
> 3. Then I have untared the gromacs-3.3 and configured the gromacs.
> the command that I typed is ./configure --enable-mpi
> --disable-float --enable-shared
>
> 4. After this I typed the command make
>
> and I got an error as follows
>
> mpicc: No such file or directory
mpicc is not in your path.
> make[4]: *** [libgmx_mpi_d.la] Error 1
> make[4]: Leaving directory
> `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src/gmxlib'
> make[3]: *** [all-recursive] Error 1
> make[3]: Leaving directory
> `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src/gmxlib'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory
> `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory
> `/usr/data/dhananjay/Dhananjay_installation/Gromacs/gromacs-3.3/src'
> make: *** [all-recursive] Error 1
>
>
>
> Anybody can tell me what is the problem ?
>
>
>
>
>
>
>
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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