parsing rom config option to Control.

src/Control.cc

@@ -1917,6 +1917,10 @@ void Control::setOptions(const boost::program_options::variables_map& vm)
 
     // synchronize all processors
     sync();
+
+#ifdef MGMOL_HAS_LIBROM
+    setROMOptions(vm);
+#endif
 }
 
 int Control::checkOptions()
@@ -2051,3 +2055,66 @@ void Control::printPoissonOptions(std::ostream& os)
     }
     os << std::endl;
 }
+
+void Control::setROMOptions(const boost::program_options::variables_map& vm)
+{
+    printWithTimeStamp("Control::setROMOptions()...", std::cout);
+
+    if (onpe0)
+    {
+        std::string str = vm["ROM.stage"].as<std::string>();
+        if (str.compare("offline") == 0)
+            rom_pri_option.rom_stage = ROMStage::OFFLINE;
+        else if (str.compare("online") == 0)
+            rom_pri_option.rom_stage = ROMStage::ONLINE;
+        else if (str.compare("build") == 0)
+            rom_pri_option.rom_stage = ROMStage::BUILD;
+        else if (str.compare("none") == 0)
+            rom_pri_option.rom_stage = ROMStage::UNSUPPORTED;
+
+        rom_pri_option.restart_file_fmt = vm["ROM.offline.restart_filefmt"].as<std::string>();
+        rom_pri_option.restart_file_minidx = vm["ROM.offline.restart_min_idx"].as<int>();
+        rom_pri_option.restart_file_maxidx = vm["ROM.offline.restart_max_idx"].as<int>();
+        rom_pri_option.basis_file = vm["ROM.offline.basis_file"].as<std::string>();
+
+        rom_pri_option.save_librom_snapshot = vm["ROM.offline.save_librom_snapshot"].as<bool>();
+    }  // onpe0
+
+    // synchronize all processors
+    syncROMOptions();
+}
+
+void Control::syncROMOptions()
+{
+    if (onpe0 && verbose > 0)
+        (*MPIdata::sout) << "Control::syncROMOptions()" << std::endl;
+
+    MGmol_MPI& mmpi = *(MGmol_MPI::instance());
+
+    mmpi.bcast(rom_pri_option.restart_file_fmt, comm_global_);
+    mmpi.bcast(rom_pri_option.basis_file, comm_global_);
+
+    auto bcast_check = [](int mpirc) {
+        if (mpirc != MPI_SUCCESS)
+        {
+            (*MPIdata::sout) << "MPI Bcast of Control failed!!!" << std::endl;
+            MPI_Abort(comm_global_, 2);
+        }
+    };
+
+    short rom_stage = (short)static_cast<int>(rom_pri_option.rom_stage);
+    int mpirc;
+    mpirc = MPI_Bcast(&rom_stage, 1, MPI_SHORT, 0, comm_global_);
+    bcast_check(mpirc);
+
+    mpirc = MPI_Bcast(&rom_pri_option.restart_file_minidx, 1, MPI_INT, 0, comm_global_);
+    bcast_check(mpirc);
+
+    mpirc = MPI_Bcast(&rom_pri_option.restart_file_maxidx, 1, MPI_INT, 0, comm_global_);
+    bcast_check(mpirc);
+
+    mpirc = MPI_Bcast(&rom_pri_option.save_librom_snapshot, 1, MPI_C_BOOL, 0, comm_global_);
+    bcast_check(mpirc);
+
+    rom_pri_option.rom_stage = static_cast<ROMStage>(rom_stage);
+}

src/Control.h

@@ -13,6 +13,10 @@
 #include "Species.h"
 #include "Timeout.h"
 
+/* enumeration and option variables for libROM */
+#include "mgmol_config.h"
+#include "rom_Control.h"
+
 #include <cassert>
 #include <fstream>
 #include <iostream>
@@ -220,6 +224,9 @@ class Control
 
     void printRestartLink();
 
+    /* libROM related options */
+    ROMPrivateOptions rom_pri_option;
+
 public:
     static Control* instance()
     {
@@ -707,6 +714,11 @@ class Control
     }
 
     bool AtomsMove() { return (atoms_dyn_ != 0); }
+
+    /* ROM-related options */
+    void setROMOptions(const boost::program_options::variables_map& vm);
+    void syncROMOptions();
+    const ROMPrivateOptions getROMOptions() { return rom_pri_option; }
 };
 
 #endif

src/rom_Control.h

@@ -0,0 +1,42 @@
+// Copyright (c) 2017, Lawrence Livermore National Security, LLC and
+// UT-Battelle, LLC.
+// Produced at the Lawrence Livermore National Laboratory and the Oak Ridge
+// National Laboratory.
+// LLNL-CODE-743438
+// All rights reserved.
+// This file is part of MGmol. For details, see https://github.com/llnl/mgmol.
+// Please also read this link https://github.com/llnl/mgmol/LICENSE
+
+#ifndef ROM_CONTROL_H
+#define ROM_CONTROL_H
+
+#include <cassert>
+#include <fstream>
+#include <iostream>
+#include <string>
+#include <vector>
+
+enum class ROMStage
+{
+    OFFLINE,
+    ONLINE,
+    RESTORE,    // TODO(kevin): what stage is this?
+    BUILD,
+    UNSUPPORTED
+};
+
+/* Stored as a private member variable of Control class */
+struct ROMPrivateOptions
+{
+    ROMStage rom_stage = ROMStage::UNSUPPORTED;
+
+    std::string restart_file_fmt = "";
+    int restart_file_minidx = -1;
+    int restart_file_maxidx = -1;
+    std::string basis_file = "";
+
+    /* save librom snapshot matrix at FOM simulation. */
+    bool save_librom_snapshot = false;
+};
+
+#endif  // ROM_CONTROL_H