Yambo Community Forum

Dear developers:

I have compiled yambo in an Linux PC cluster . There are no errors neither in the configure nor the
compilation steps. Actually it runs perfectly in "serial" .
However if I want to run yambo in parallel it fails to run. According to the configuration options, It is pressumably
compiled in parallel. But in the end It seems that it was not.
Any idea of the problem?

The details of the configure and compilation are below.

Thanks
S D Wang

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
1. Compiler: ifort=9.0
gcc-3.4.6
2. Architecture: Linux PC cluster. Compilation in parallel
4. Yambo: yambo-3.2.1-r.448

5. Configure options: (in attach you will find the config.log file)

$ ./configure --with-iotk=/home/sdwang/espresso-4.1.2/iotk/ --with-p2y=4.0 --with-mpi=/usr/local/mpich/lib/libmpichf90.a --with-netcdf=no

7. The message that appeared in the end of the configure step is:

###>>>
.
.
.
.
# [ ] Double precision
# [X] Redundant compilation
# [X] MPI
# [X] PW (4.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
....
...
...
###<<<

8. In order to run yambo in serial I have to skip MPI initialization, that is, I type

$ yambo -N

and it runs succesfully.

8. In order to run yambo in parallel I type

$ mpirun -machinefile node_file -np 2 yambo

and the message is:

###>>>
yambo : invalid option -- p

This is yambo 3.2.1 rev.448
Usage: yambo -h -H -J <opt> -V <int> -F <opt> -I <opt> -O <opt> -C <opt> -N -D -S -i -o <opt> -t <opt> -c -x -b -p <opt> -g <opt> -y <opt>
Try `yambo -H' for more information
###<<<

Dear Shudong Wang

this is a known problem (see this topic)
Contrary to what Conor wrote here, my knowledge is that in spite to a lot of attempts the problem was never solved. Since (at least from my experience) the problem appears only with the old mpich on some architectures, and this is now replaced by mpich2, I do not believe the problem will be solved in the future.
My advice is really, if possible, to use a different mpi. For example you may upgrade to mpich2 or using openmpi. Both are not having this problem.
If it is really not possible, I can try to help you further.

Let me know,
m

Thank you!I will try it.

myrta gruning wrote: Contrary to what Conor wrote here, my knowledge is that in spite to a lot of attempts the problem was never solved.

Oops! I stand corrected