AMBER Archive (2008)

Subject: AMBER: parallel test /

From: Arturas Ziemys (
Date: Wed May 28 2008 - 10:10:36 CDT


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 (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
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: 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



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