AMBER Archive (2008)

Subject: Re: AMBER: parallel test / libmpi_f90.so.0

From: Arturas Ziemys (arturas.ziemys_at_uth.tmc.edu)
Date: Wed May 28 2008 - 10:24:14 CDT

Solved by adding $LD_LIBRARY_PATH ...
It is probably the lack of knowledge, but is it necessary to have
$LD_LIBRARY_PATH if I compiled the executable with shared libraries (it
has paths to libraries during compilations) ? I do not understand this
properly.

Arturas

Arturas Ziemys wrote:
> Hi,
>
> I have compiled Amber in parallel with g95/mpif90 and OpenMPI on
> RedHat/Xeon(32). OpenMPI is installed in custom folder and $MPI_HOME
> is set to it; as well as $AMBERHOME is done as described. However,
> when I run make test.parallel in $AMBERHOME/test I get error that
> sander.MPI can not load shared library libmpi_f90.so.0 (see below the
> output).
>
> I have checked - that library is as link in $MPI_HOME/lib. Could
> anyone give apiece of advice ?
>
> #------------------------------------------------------------------
> [aziemys_at_medusa test]$ make test.parallel
> export TESTsander=/home/aziemys/bin/amber9/exe/sander.MPI; make
> test.sander.BASIC
> make[1]: Entering directory `/home/aziemys/bin/amber9/test'
> cd dmp; ./Run.dmp
> /home/aziemys/bin/amber9/exe/sander.MPI: error while loading shared
> libraries: libmpi_f90.so.0: cannot open shared object file: No such
> file or directory
> ./Run.dmp: Program error
> make[1]: *** [test.sander.BASIC] Error 1
> make[1]: Leaving directory `/home/aziemys/bin/amber9/test'
> make: *** [test.sander.BASIC.MPI] Error 2
>
> #------------------------------------------------------------------
>
> Arturas
>
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-- 

Arturas Ziemys, PhD
  postdoc
  School of Health Information Sciences
  University of Texas Health Science Center at Houston
  7000 Fannin, Suit 880
  Houston, TX 77030
  Phone: (713) 500-3975
  Fax:   (713) 500-3929  

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