Re: [AMBER] AMBER11 parallel compiling problem

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 28 Jan 2011 11:41:10 -0500

Add /home/jzhu/bin/openmpi-1.4.1/lib to your LD_LIBRARY_PATH:

If you are using bash or something sh-derived:

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH\:/home/jzhu/bin/openmpi-1.4.1/lib

If you are using a csh variant:

setenv LD_LIBRARY_PATH "$LD_LIBRARY_PATH:/home/jzhu/bin/openmpi-1.4.1/lib"

Then retry. The problem is that it's not finding the shared library when
it's time to run. If you set this in your ~/.profile or ~/.bashrc or
~/.cshrc, then it should save you the trouble of executing that command each
time you want to run it.

Good luck!
Jason


On Fri, Jan 28, 2011 at 11:16 AM, Zhu, James <James.Zhu.ars.usda.gov> wrote:

> I compiled AMBER 11 serial version and it passed the test. Then I built
> the parallel version. When I ran the test, I kept getting this error:
>
>
>
> /home/jzhu/bin/amber11/exe/sander.MPI: error while loading shared
> libraries: libmpi_f90.so.0: cannot open shared object file: No such file
> or directory.
>
>
>
> I can locate the file in the following folds:
>
>
>
> /home/jzhu/bin/openmpi-1.4.1/lib/libmpi_f90.so.0
>
>
>
> /home/jzhu/bin/openmpi-1.4.1/ompi/mpi/f90/.libs/libmpi_f90.so.0
>
>
>
> What should I do to fix it?
>
>
>
>
>
> James
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Fri Jan 28 2011 - 09:00:08 PST
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