Yambo Community Forum

Dear Sir,

I am experiencing a parallelism problem with the calculation of static dielectric function with the version yambo 4.3.2
Strangely, after the last response calculation:
Xo@q[144] |####################################### | [097%] 54m-04s(E) 55m-26s(X)
the code stops doing nothing, unless it is killed.
I am using a parallel strategy as 128 1 2 1 1 and compiled the code as:
./configure --enable-mpi MPIFC=mpif90 MPIF77=mpif77 MPICC=mpicc --enable-3d-fft --with-p2y-version=qexsd --enable-dp

I have checked with other CPU combinations, but same problem appears. A single node calculation with a distribution 32 1 1 1 1 runs smoothly for lower parameter thresholds.

I have seen a similar problem reported here:
viewtopic.php?f=13&t=1563
But the solution is not mentioned properly. Can you help me on this? The problem did not appear for lesser yambo versions.

With regards,
Sitangshu

Dear Sitangshu,
not easy to understand the problem if any error is emitted.
The only suggestion I can provide, in case the problem is due to a memory issue is to set:
PAR_def_mode= "memory"

or alternatively choose a strategy assignign the cpu's to the bands (c,v). This will optimize the memory per core needed.
Other suggestion is to compile the code with the option:
--enable-memory-profile

this will give information on the memory needed per proc in the log file.

Best,
Daniele