mpirun not working

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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rajender
Posts: 3
Joined: Thu Feb 03, 2022 10:26 am

mpirun not working

Post by rajender » Mon Feb 07, 2022 12:29 pm

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.
Dr. Rajender Tiwari
Asia Pacific Center for Theoretical Physics (APCTP)
Hogil Kim Memorial Building #530, POSTECH, South Korea

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Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
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Re: mpirun not working

Post by Daniele Varsano » Mon Feb 07, 2022 2:08 pm

Dear Rajender,

the config.log file is missing and it is needed to see if something went wrong in the compilation step.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

rajender
Posts: 3
Joined: Thu Feb 03, 2022 10:26 am

Re: mpirun not working

Post by rajender » Tue Feb 08, 2022 2:05 am

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
You do not have the required permissions to view the files attached to this post.
Dr. Rajender Tiwari
Asia Pacific Center for Theoretical Physics (APCTP)
Hogil Kim Memorial Building #530, POSTECH, South Korea

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Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
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Re: mpirun not working

Post by Daniele Varsano » Tue Feb 08, 2022 10:22 am

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

rajender
Posts: 3
Joined: Thu Feb 03, 2022 10:26 am

Re: mpirun not working

Post by rajender » Tue Feb 08, 2022 11:29 am

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
You do not have the required permissions to view the files attached to this post.
Dr. Rajender Tiwari
Asia Pacific Center for Theoretical Physics (APCTP)
Hogil Kim Memorial Building #530, POSTECH, South Korea

User avatar
Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: mpirun not working

Post by Daniele Varsano » Tue Feb 08, 2022 12:08 pm

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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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