[gmx-users] Installation problem

[Dhananjay]

Thanks  for reply,


Well before that let me tell you about my system that just now I discussed
with administrator.

I have 16 node grid. (In last mail I said that I have 8 nodes but now I can
use all 16 nodes)

In details:

Operating System is Redhat WS 3.0 and 16 nodes are excutation host which are
installed by N1Grid Engine  6.0 (i.e. N1GE 6.0 )

Master N1GE is SF440  which is having Solaries 9.0 operating system and N1GE
6.0 Software.

Also when I typed   "uname -a" on command line I got following information:

Linux cdfd-grid-master 2.4.21-19.ELsmp #1 SMP Thu Aug 12 23:22:47 EDT 2004
x86_64 x86_64 x86_64 GNU/Linux

I want to install Gromacs parallel  version.  Will installation on master
N1GE is sufficient or I have to install it on all the nodes ?

Second thing is master N1GE is having Solaries 9.0 operating System. So will
it be possible to install Gromacs-3.3 on Solaries 9.0 ?

Let me tell you that I am not  master of Computer Adminitration area but
still I wish to workout this installation. Therefore I am following  your
instructions and suggestions...


On 12/28/05, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
>
> Dhananjay wrote:
>
> > Hello all,
> >
> > I have tried and successfully installed Gromacs-3.3 on single node.
> >
> > Now I want to install parallel gromacs.
>
>
> start (on the master node) with make distclean, then start from the
> configure step again. It could be that the mpi library you have
> installed is not in the proper binary format (i.e. 32 vs 64 bits).
>
> >
> > when I tried it on the same node, I got error as follows:
> >
> > /usr/lib/gcc-lib/x86_64-redhat-linux/3.2.3/../../../../lib64/libmpi.a:
> > could not read symbols: Bad value
> > collect2: ld returned 1 exit status
> > mpicc: No such file or directory
> > make[4]: *** [libgmx_mpi.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
> >
> >
> > I could not understand the meaning of these erre. Will anybody please
> > tell me ?
> >
> > Presently I can use 8 nodes. Is there any specific procedure/steps of
> > installation on nodes/grid ?
> >  I mean to say should I start installation from master node  ?
> >
> > 2 out og 8 nodes has gromacs-3.3 alrady installed.
> >
> > Dhananjay
> >
> >------------------------------------------------------------------------
> >
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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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