[QE-users] Again Fatal error in PMPI_Comm_free
Paolo Giannozzi
paolo.giannozzi at uniud.it
Thu Nov 3 16:47:05 CET 2022
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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