ABINIT Discussion Forums

Dear abiniters,
I am trying to compile abinit in a cluster so I want to use the parallezation of abinit. The admistrator of the cluster said to me that the cluster has installed the openmp but not the mpi libraries. How do I set the configure options to this case?

Actually, you can install mpi youself depending on your preference,
abinit can compile by openmpi, mpich2, intel mpi(mpiifort) and so on,
for some free mpi software, you can install yourself on cluster.

Really? I mean I am not root/administrator of the cluster and install such things usally requires admin privileges. That is why I am asking how to use openmp wich is the installed stuff there.

I got a silly question: are OpenMP and OpenMPI the same stuff?

Boris

Boris,
According to myself experience, openmp and mpi are not the same. If I try to install abinit in the cluster i mentioned and use mpi I got a error message because the configure script can not find the mpi libraries. Consulting to the administrator, he said to me that mpi was not installed but openmp it is installed. That is the origin of my post, try to use abinit with openmp instead mpi.

Hi

I understood that, but it seemed to me that OpenMP had MPI librairies, so it didn't make any sense to me that your administrator told you that MPI was not installed but OpenMP was.

I searched on Google and OpenMP is indeed used for parallelisation, and should therefore have MPI libraries installed with it. If abinit doesn't find the MPI libraires by itself, then you have to specify the path to the MPI librairies yourself.

What was the command you used for the configure script ? Was it a simple : ../configure --enable-mpi ?

Boris

exactly, openmpi should be fine for compiling abinit,
but if you feel that openmpi is not suitable for your work,
you can install some parallelism compiler such as mpich2 without administrator privileges.

best
peter

read this

http://darmawan-salihun.blogspot.com/2009/11/openmp-vs-openmpi.html

Abinit uses MPI.

openmp is not activated, though it may be used in the future.

Matthieu