On Mon, May 21, 2018 at 2:32 PM, Pawel Dziekonski <[email protected]> wrote:
OpenMPI 2.1.3, GCC 7.3.0, netlib BLAS/LAPACK: > ./configure --enable-openmp --enable-parallel --with-netlib > CP: > https://pastebin.com/x4dqkxCA Small numerical differences. Different mathematical libraries and execution modes may lead to slightly different results. > PW: > https://pastebin.com/hgjMuYCK The "Langevin" test gives results that depend upon the number of processors used and should be discarded. The "Berry" and many "vdw" tests fail for reasons that is impossible to know without looking at the outputs All the remaining cases fall in the "small numerical differences" case. Intel parallel studio xe 2016.3.067 (I'm aware of MKL bug): > ./configure --enable-parallel > CP: > https://pastebin.com/8F49sL6u > Same as above for CP PW: > https://pastebin.com/njFEmt0M > same as above for PW BTW, when I start compilation by > make all > only some targets are build (mostly cp, nothing from pwall). > Is this expected? > no Paolo -- 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
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
