Member Site Forums Rosetta 3 Rosetta 3 – General mpi / jd2 with AbinitioRelax and relax (3.2) Reply To: mpi / jd2 with AbinitioRelax and relax (3.2)


    A) bombobear is an awesome name for a node

    B) a segfault is likely to be an error internal to rosetta, not an error related to MPI – try running without MPI (one processor) and seeing if it is duplicable. There’s not enough information here to say anything else about it.

    C) Try running the mpi version directly instead of the symlink. Instead of using /programs/nmr/x86_64/rosetta/rosetta-3.2-mpi/bin/minirosetta.linuxgccrelease, use /programs/nmr/x86_64/rosetta/rosetta-3.2-mpi/build/src/release/a/bunch/of/folders/mpi/minirosetta.mpi.linuxgccrelease. On my particular system, a/bunch/of/folders becomes linux/2.6/64/x86.