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)


    I have no idea how to use the broker code either. I think it obeys the same flags as abinitiorelax, but its author has declined to comment. Perhaps smg3d figured it out…

    The option is specifically

    -run:protocol broker

    “I tried the abinitiorelax.script that smg3d posted above. It worked except that the output file has multiple entry of the same tag, e.g. I have multiple S_0000001.pdb structure in my silent file.”

    This is what is expected to happen when you run non-MPI code in an MPI setup. The MPI in rosetta only communicates to prevent the outputs from overlapping – one processor takes S_001, one takes S_002, etc. With no MPI, there’s no communication, so all N processors create S_001 and overwrite each others’ work.