Parallelism problem in Response calculation in Y-4.3.2

[sitangshu]

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

[Daniele Varsano]

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