mpirun not working

[rajender]

Dear yambo code experts,

I am learning yambo code and following the tutorial steps to get familiar with this tool. In the initialization example (with the bulk hBN), $yambo command runs well, but $mpirun -np 4 yambo gives errors as:
---
[cli_0]: aborting job:
Fatal error in PMPI_Comm_rank:
Invalid communicator, error stack:
PMPI_Comm_rank(110): MPI_Comm_rank(comm=0x0, rank=0x7fff535509b0) failed
PMPI_Comm_rank(68).: Invalid communicato
...
-----
The command '$mpirun -np' works well with the other tools such as Quantum Espresso, Wannier90 etc., but the problem occurs only with the yambo code. Could you please suggest how to rectify this issue, I have attached config.log file?


Bests,
Rajender, Ph.D.
Asia Pacific Center for Theoretical Physics, South Korea.

[Daniele Varsano]

Dear Rajender,

the config.log file is missing and it is needed to see if something went wrong in the compilation step.
Best,
Daniele

[rajender]

Dear Daniele,

I am sorry for missing config.log file. I tried to attach the config.log as it is but only the zip file appears successfully attached. Please suggest how can I run yambo in parallel in my cluster.

Many thanks in advance!

Best regards,
Rajender

[Daniele Varsano]

Dear Rajender,

it seems there is a mixing of gfortran and intel compilers and this makes some conflict.
You can try to configure explicitly assigning the compilers as:

Code: Select all

./configure \
 FC=ifort \
 F77=ifort \
 CPP="icc -E" \
 PFC=mpif90 \
 CC=icc \
MPIFC='mpiifort' \
MPICC='mpiicc' \

Best,

Daniele

[rajender]

Dear Daniele,

I tried configuring yambo with your suggestion but the error still persists with $mpirun
----
[cli_3]: aborting job:
Fatal error in PMPI_Comm_rank:
Invalid communicator, error stack:
PMPI_Comm_rank(110): MPI_Comm_rank(comm=0x0, rank=0x7ffeef3fcb90) failed
PMPI_Comm_rank(68).: Invalid communicator
----
New cofig.log file is attached. Could you kindly suggest if I am missing something and how can I use mpirun in my system.
Many Thanks!

Best regards,
Rajender

[Daniele Varsano]

Dear Rajender,

a possibility is that your mpirun comes from a different implementation than the mpi wrapper (mpiifort etc.) you used to compile the code :
https://stackoverflow.com/questions/331 ... mmunicator

So verify you are using the right mpirun,

other option, you can try to compile the code using the gnu compilers.

May others can provide other suggestions.

Best,
Daniele