The scripts and input files that accompany this demo can be found in the
demos/public
directory of the Rosetta weekly releases.
KEYWORDS: DESIGN GENERAL
This demo includes input files for running multistate design using 10 states. It can either be run on a single processor using the
mpi_msd.default.linuxgccrelease (or, more generally the mpi_msd.default.{os}{compiler}{release/debug} executable)
using the provided input, you can test this:
(where $ROSETTA3
=path-to-Rosetta/main/source
$> $ROSETTA3/bin/mpi_msd.linuxgccrelease @flags
or by distributing those states over multiple processors using the
mpi_msd.mpi.linuxgccrelease (or, more generally the mpi_msd.mpi.{os}{compiler}{release/debug} executable)
and by launching the job with between 1 and 10 CPUs. Using 5 CPUs would place two states
on each processor.
Files to look at first:
1USM_het.flags: contains the set of flags read by the command line in the command/command_mpi files.
fitness.daf: the file which declares the set of states included in this design task, and the fitness function itself
entity.resfile: the resfile which declares the accessible regions of sequence space