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Re: [Opal] mpirun and anaconda

Chronological Thread  
  • From: "Alba Jacas Arnau (PSI)" <arnau.albajacas AT>
  • To: "Adelmann Andreas (PSI)" <andreas.adelmann AT>, "Kim, Seongyeol" < AT>
  • Cc: "opal AT" <opal AT>
  • Subject: Re: [Opal] mpirun and anaconda
  • Date: Wed, 26 Jan 2022 21:53:54 +0000
  • Accept-language: en-GB, de-CH, en-US
  • Authentication-results:; iprev=pass ( smtp.remote-ip=; spf=pass; dmarc=skipped

Dear Andreas and Seongyeol,

I had a similar problem a while back, where OPAL would not compile because conda had installed some different version of mpi.

I had a conda environment where I had installed many packages, and in my .bashrc I had this line prepending the libraries of the environment to LD_LIBRARY_PATH

export LD_LIBRARY_PATH=/path/to/my_env/lib:$LD_LIBRARY_PATH

That's why OPAL was using the wrong MPI. I removed this line and now it works fine. 

Maybe you have a similar line in



From: opal-request AT <opal-request AT> on behalf of Kim, Seongyeol < AT>
Sent: 26 January 2022 21:55:14
To: Adelmann Andreas (PSI)
Cc: opal AT
Subject: Re: [Opal] mpirun and anaconda
Dear Andreas,

Please find the attached pdf file for more details.

When calling the OPAL, I simply used: opal where indicates the name of the input file.
For the parallel running, I used: mpirun -np number opal Here I put the number to 4 just in case for checking.

Indeed, when I activate the Anaconda through .bashrc, you can see that there are 4 same messages when I try to do parallel run.
On the other hand, when I deactivate the Anaconda, then it works fine. This also happens when using miniconda.

Thank you for your help!
Best regards,

From: Adelmann Andreas (PSI) <andreas.adelmann AT>
Sent: Wednesday, January 26, 2022 14:20
To: Kim, Seongyeol < AT>
Cc: opal AT <opal AT>
Subject: Re: [Opal] mpirun and anaconda
Dear Seongyeol to me this is an incompatibility with the MPI library
OPAL is build with and, your Anaconda/Python installation.  

Can you elaborate a bit more how you call OPAL for the notebook?
Cheers A
Dr. sc. math. Andreas (Andy) Adelmann
Head a.i. Labor for Scientific Computing and Modelling 
Paul Scherrer Institut OHSA/ CH-5232 Villigen PSI
Phone Office: xx41 56 310 42 33 Fax: xx41 56 310 31 91
Zoom ID: 470-582-4086 Password: AdA
Zoom Link:

Friday: ETH HPK G 28   +41 44 633 3076
The more exotic, the more abstract the knowledge, 
the more profound will be its consequences.
Leon Lederman 

On 26 Jan 2022, at 19:13, Kim, Seongyeol < AT> wrote:


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