[gmx-users] Installation problem

David van der Spoel spoel at xray.bmc.uu.se
Wed Dec 28 15:09:29 CET 2005


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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>
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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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