Are you sure that you compiled with the same MPI that you are using for running
(in other words, does your mpif90 belong to the openmpi you are using to run the
code)?
I notice references to libmkl_blacs_intel. That's almost certainly wrong. These
are the BLACS for Intel MPI (therefore my prev
Hello everyone,
While trying to execute SIESTA on cluster (CentOS 5.2 (x*86_64 GNU/Linux)
64-bit) I am getting following errors::
1. if I am using command /opt/mpi/openmpi/1.3.3/intel/bin/mpirun -np 8
/opt/bin/siesta-parallel.x < template > t.out
then program starts to run but stops after
Hello everybody,
I was trying to take advantage from the NumberOfEigenstates flag during a
relaxation, as suggested in the manual, but changing it seem to have no effect
at all. For example, the number of orbitals is the same unregarding the
NumberOfEigenstates.
So, what the NumberOfEigenstate
