[QE-users] Again Fatal error in PMPI_Comm_free

[Yang Liu]

>> When I compiled QE7.1, it seemed that the Scalapack was automatically 
>> installed without being explicitly turned on in the make.inc file (I'm 
>> not sure if I am right).

> "configure" by default tries to link Scalapack if present. If it 
> succeeds, it adds to  "make.inc" a preprocessing option -D__SCALAPACK 
> and a link to Scalapack libraries. This is what I get:
> DFLAGS         =  -D__DFTI -D__MPI -D__SCALAPACK
> SCALAPACK_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
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_MPISCALAPACK_LIBS =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. Yang Liu


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