Le 23/07/12 11:12, devawati dutta a écrit :
> Dear sir,
>
> I am unable to install parallel version of amber11. The main problem are as
> follows:
>
> 1. While configuring Parallelnetcdf, I am getting an error *(configure:
> error: Cannot find MPI-IO library)*
> 2. I have included /home/username/amber11/bin, /home/username/amber11/lib
> in the PATH.
> 3. I have installed openmpi1.6 version.
> 4. I have also tried to install by running ./configure -mpi gnu. But the
> error is that parallelenetcdf is not configuring.
>
> Can you please help me in solving the problem. Otherwise i could perform
> free energy calculation
>
Did the serial version of amber11 installed properly using the gnu
compilers?
Are the openmpi compilers in your PATH?
Were they compiled with the same gnu compilers you used for the amber11
serial installation?
--
Miguel
Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
mailto:miguel.ortiz-lombardia.afmb.univ-mrs.fr
http://w2.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
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Received on Mon Jul 23 2012 - 02:30:03 PDT
