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 > > > > > > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
