AMBER Archive (2009)

Subject: [AMBER] Testing parallel amber10: no libmkl_lapack.so

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Tue Apr 07 2009 - 13:56:25 CDT


Compiled without error messages parallel amber10 (debian amd64 lenny,
openmpi 1.3.1 fully tested, ifort 10.1.015)

./configure_amber -openmpi -nobintray ifort

make parallel
--------------------------------

I am having problems with parallel tests

cd test

export DO_PARALLEL='mpirun -np 4'

make test.parallel.MM < /dev/null

/usr/local/amber10/exe/sander.MPI: error while loading shared
libraries: libmkl_lapack.so: cannot open shared object file: no such
file or directory (cytosine test failed)

The library is in /opt/intel/mkl/10.0.1.014/lib/em64t

In my .bashrc:

MPI_HOME=/usr/local
export MPI_HOME

export MKL_HOME=/opt/intel/mkl/10.0.1.014/
source $MKL_HOME/tools/environment/mklvarsem64t.sh

The *.sh is the original version

Can't see what should be checked in order to satisfy the request
thanks
francesco pietra

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