AMBER Archive (2007)

Subject: AMBER: Parallel test error with shared libraries

From: Joe Nolan (spaceace13666_at_yahoo.com)
Date: Mon Nov 05 2007 - 15:05:27 CST

Dear Amber development community,

Upon compilation of Amber9 in serial and subsequently in parallel using OpenMPI, in an i386 installation of RHEL 5, the following error occurs when the command "make test.parallel" is issued under the test directory:

 export TESTsander=/usr/local/amber9/exe/sander.MPI; make test.sander.BASIC
make[1]: Entering directory `/usr/local/amber9/test'
cd dmp; ./Run.dmp
This test not set up for parallel
 cannot run in parallel with #residues < #pes
cd adenine; ./Run.adenine
This test not set up for parallel
 cannot run in parallel with #residues < #pes
==============================================================
cd cytosine; ./Run.cytosine
/usr/local/amber9/exe/sander.MPI: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory
/usr/local/amber9/exe/sander.MPI: error while loading shared libraries: libmpi_f90.so.0: cannot open shared object file: No such file or directory
  ./Run.cytosine: Program error
make[1]: *** [test.sander.BASIC] Error 1
make[1]: Leaving directory `/usr/local/amber9/test'
make: *** [test.sander.BASIC.MPI] Error 2

I know the links to the files exist as "libmpi_f90.so.0" in the /usr/local/lib directory, and they link to "libmpi_f90.so.0.0.0" in the same directory. This problem has me stumped, and I realize I've probably overlooked something.

Any and all input into this matter is greatly appreciated!
-Joe Nolan

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