Dear Michael,
As Christoph already figured out, you seem to have Mumps compiled with ptscotch. Kwant can for now only use the serial version of Mumps. Did you compile Mumps yourself? If so, you need to adjust a Makefile of Mumps so that you build the serial version only.
That was an error indeed. I think I fixed MUMPS’ Makefile, using LIBSEQ="-L[…]/libseq -lmpiseq" INCSEQ="-I[…]/libseq" LSCOTCH="-L$SCOTCH/lib -lesmumps -lscotch -lscotcherr" LMETIS="-L$METIS/lib -lmetis" I also needed to add "ifcore" (using Intel icc, ifort) to libraries in the [mumps] section in build.conf to avoid "undefined symbol: for_write_int_fmt" So far so good, but …
import kwant Current memory used: 416 bytes Maximum memory used: 416 bytes ***Memory allocation failed for OMETIS: cptr. Requested size: 3435973836824 bytes Segmentation fault (core dump made)
Any ideas? Hopefully converging to a working setup… ;-) Regards, Stefan