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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Received on Wed Apr 08 2009 - 01:19:18 PDT
