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Subject: Re: [OMPI users] Problem executing mpic++ for LAMMPS installation
From: Pavel Mezentsev (pavel.mezentsev_at_[hidden])
Date: 2012-10-13 04:12:09


Try adding path to openmpi libraries to LD_LIBRARY_PATH:

export LD_LIBRARY_PATH=/home/ras536/lib/openmpi/lib:$LD_LIBRARY_PATH

Regards, Pavel Mezentsev

2012/10/12 Rafael Antonio Soler-Crespo <rafael.soler_at_[hidden]>

> Hello everyone,
>
> I'm a new student at my university, and I need to install LAMMPS software
> to perform some molecular dynamic simulations for my work. The cluster I am
> working on has no root access for me (obviously) and I am installing
> everything on my local account. I'm having some difficulty installing
> LAMMPS on my cluster home account. I downloaded and installed openmpi, and
> had to edit ~/.bashrc to add the line:
>
> export PATH=/home/ras536/bin/openmpi/bin/:${PATH}
>
> To get it to recognize that I had installed mpic++ and etc. Upon doing
> this, I run:
>
> $ mpic++
>
> And I will succesfully obtain the message:
>
> g++: no input files
>
> So, I think, everything is fine with my openmpi1.1 (LAMMPS requieres
> this) installation. However, when I try to make LAMMPS using:
>
> $ make openmpi
>
> I get errors like this:
>
> mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
> -DLAMMPS_GZIP -DFFT_FFTW -c memory.cpp
> mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
> -DLAMMPS_GZIP -DFFT_FFTW -c min_cg.cpp
> mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
> -DLAMMPS_GZIP -DFFT_FFTW -c min.cpp
> min.cpp: In member function âvoid LAMMPS_NS::Min::force_clear()â:
> min.cpp:547: warning: unused variable âiâ
>
> And furthermore, upon trying to use the executable:
>
> ./lmp_yotta
>
> I get this:
>
> ./lmp_yotta: error while loading shared libraries: liborte.so.0: cannot
> open shared object file: No such file or directory
>
> Any idea what might be going on? Am I missing linking stuff so that LAMMPS
> building can proceed fine?
>
> Thanks for the help,
>
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