[Pw_forum] openmpi 1.3.3

[Carlo Nervi]

Dear forum users,
I tried to compile QE (snapshot 25-09-09 version) under linux with ifort 
11.0 and MKL libraries 10.1.1.019 using OpenMPI 1.3.3
As far as I read OpenMPI 1.3 has improved performances over the previous 
versions...
I (apparently) successfully compiled OpenMPI with Intel ifort (the 
hello.World program run on all 8 core of my linux pc).

If I run pw.x in serial mode (OMP_NUM_THREADS=1) I got the correct 
results, but if I try to run pw.x using OMP_NUM_THREADS=8 either it runs 
forever (no convergence) reporting erroneous results, or it crash.
If I run it by "mpirun -np 8 pw.x -in scf.it > scf.out &" (using 
OMP_NUM_THREAD=1), i get always the following message:
"MPI_ABORT was invoked on rank 5 in communicator MPI_COMM_WORLD"

I found the following url:
http://software.intel.com/en-us/forums/intel-math-kernel-library/topic/68207/
where they explain that
"...Since Open MPI considers MPI_COMM_WORLD to be a pointer it turns out 
to be 64-bit long. Whereas Cluster FFT was designed in times where 
sizeof(MPI_Comm) used to be 32-bit. In order to work correctly with Open 
MPI you just need to wrap the communicator as follows:
DftiCreateDescriptorDM(MPI_Comm_c2f(MPI_COMM_WORLD),&desc,DFTI_DOUBLE,DFTI_COMPLEX,1,len);"

I don't have enough experience to understand if this could be really 
relevant to the present topic, could be useful to the whole QE community 
that would like to compile QE using ifort and MKL, or it is totally 
irrelevant and unuseful...

Somebody have tried to successfully use OpenMPI v 1.3.3?
Maybe with ifort and MKL?
I would greatly appreciate any comments. Thanks!
	Carlo
-- 
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Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
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