Master.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
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/// @file   protocols/elscripts/Master.hh
/// @brief  The Master role in elscripts, handles trajectories, generating workunits, processing of results
/// This is the non MPI version of the master, which is used by the Single Node Role
///  Splitting this from MPI_Master so Single Node can be compiled without MPI
/// @author Ken Jung

#ifndef INCLUDED_protocols_elscripts_Master_hh
#define INCLUDED_protocols_elscripts_Master_hh
#ifdef USELUA
#include <protocols/elscripts/Master.fwd.hh>
#include <protocols/wum2/EndPoint.hh>
#include <protocols/elscripts/BaseRole.hh>

#include <boost/date_time/posix_time/posix_time_types.hpp>

namespace protocols {
namespace elscripts {

void lregister_Master( lua_State * lstate );

class Master : public BaseRole {
  public:
    // default memory limit is 1GB
    // default reserved mem size is 100MB as recommended by fpd
    Master( int num_trajectories = 1, boost::uint64_t mem_limit=2147483648, boost::uint64_t reserved_mem=104857600, boost::uint64_t reserved_mem_multiplier=5 );
    ~Master(){}

    virtual void go();

    boost::uint64_t available_mem() {
      boost::uint64_t buff_mem = 
        slave_comm_->current_mem() +
        reserved_mem_ * reserved_mem_multiplier_ +
        trajectories_mem();
      if( buff_mem >= mem_limit_ ) {
        return 0;
      } else {
        return mem_limit_ - buff_mem;
      }
    }

    void make_wu( std::string const & wuname, core::pose::PoseSP p, protocols::moves::SerializableStateSP state = protocols::moves::SerializableStateSP() );
    void make_wu( std::string const & wuname, core::io::serialization::PipeSP p, protocols::moves::SerializableStateSP state = protocols::moves::SerializableStateSP() );
    void make_wu( std::string const & wuname, core::io::serialization::PipeMapSP p, protocols::moves::SerializableStateSP state = protocols::moves::SerializableStateSP() );


    void make_wu_copied( std::string const & wuname, core::io::serialization::PipeMapSP pmap, protocols::moves::SerializableStateSP state );
    void make_wu_until_limit( std::string const & wuname, int num);
    void end_traj();

    void interpreter();

    // this is me being sloppy and lazy
    protocols::wum2::WUQueue & inq() { return slave_comm_->inq(); }
    protocols::wum2::WUQueue & outq() { return slave_comm_->outq(); }

  protected:
    boost::uint64_t current_mem() {
      return slave_comm_->current_mem() +
        trajectories_mem(); // slaves_ memory trivial
    }

    virtual int inputter_rank() {
      // handles if there is or is not pool logic, needed for inputter offset
      // doesnt do anything now
      return 1;
    }

    // use Inputters to fill trajectory pipe up to limit
    // if inputters have no more decoys, then ask pool for structures
    void fill_trajectories();

    void update_trajectories_mem();
    boost::uint64_t trajectories_mem() { return trajectories_mem_; }

  protected:
    protocols::wum2::EndPointSP slave_comm_;

    int num_trajectories_;
    core::io::serialization::PipeSP trajectories_;
    boost::uint64_t trajectories_mem_; 

    int num_trajectories_finished_;

    int mpicounter_; // simple counter to avoid calling into lua too often

    int traj_idx_; // used as a global
    // traj_idx is set before fxns make_wu are called
    // this gets rid of traj_idx in lua script

    boost::posix_time::ptime last_generate_initial_wu_time_;
};

// luabind doesn't understand default parameters, so need to create wrapper fxns for them
void master_make_wu_nostate( Master * master, std::string const & wuname, core::pose::PoseSP p );
void master_make_wu_nostate( Master * master, std::string const & wuname, core::io::serialization::PipeSP p );
void master_make_wu_nostate( Master * master, std::string const & wuname, core::io::serialization::PipeMapSP p );

} //elscripts
} //protocols
#endif
#endif