[QE-users] Again Fatal error in PMPI_Comm_free

[Yang Liu]

Sorry, I got it wrong. I checked the configure log, QE never downloaded and compiled scalapack. It just called the scalapack libs. 

In my case, QE (before 7.1) never used parallel subspace diagonalization algorithm without turning on scalapack during compilation. Now in 7.1, QE makes decision on its own. But how does QE know where the scalapack libs are? Or wiill QE look for it in the MKL roots?  I just guess the error may have something to do with calling scalapack libs.

Regards

Yang
 
From: Paolo Giannozzi
Date: 2022-11-03 23:47
To: Quantum ESPRESSO users Forum; Yang Liu
Subject: Re: [QE-users] Again Fatal error in PMPI_Comm_free
On 11/3/22 16:09, Yang Liu wrote:
 
> When I compiled QE-7.1, 7.0 or 6.x (using Intel compilers and Intel MKL), what I got by default in "make.inc" after "configure" was:
> 
> DFLAGS = -D_DFTI -D_MPI
> 
> SCALAPACK_LIBS =
 
so: scalapack is not found
 
> 
> I had to manually put the option "-D_SCALAPACK" and the scalapack lib path.
> 
> For QE-7.0 or earlier, if I did not turn on scalapack, I would see no info on scalapack during compilation. But for QE-7.1, I noticed that scalapack was downloaded and compiled without "-D_SCALAPACK" option.
 
scalapack is never downloaded or compiled by QE
 
Paolo
 
 
> Yang Liu
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
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