source: src/Fragmentation/Automation/FragmentWorker.cpp@ 509014

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 509014 was 306f60, checked in by Frederik Heber <heber@…>, 13 years ago

Extended MPQCCommandJob's extractString to understand MP2 keywords.

  • Property mode set to 100644
File size: 5.0 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2011 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * \file FragmentWorker.cpp
10 *
11 * This file strongly follows the Serialization example from the boost::asio
12 * library (see client.cpp).
13 *
14 * Created on: Nov 18, 2011
15 * Author: heber
16 */
17
18// include config.h
19#ifdef HAVE_CONFIG_H
20#include <config.h>
21#endif
22
23// boost asio needs specific operator new
24#include <boost/asio.hpp>
25
26#include "CodePatterns/MemDebug.hpp"
27
28#include <boost/bind.hpp>
29#include <iostream>
30#include <vector>
31#include "Connection.hpp" // Must come before boost/serialization headers.
32#include <boost/serialization/vector.hpp>
33#include "CodePatterns/Info.hpp"
34#include "CodePatterns/Log.hpp"
35#include "Jobs/FragmentJob.hpp"
36#include "Jobs/MPQCCommandJob.hpp"
37#include "Jobs/SystemCommandJob.hpp"
38#include "Results/FragmentResult.hpp"
39#include "FragmentWorker.hpp"
40
41FragmentResult::ptr FragmentWorker::EmptyResult( new FragmentResult(JobId::NoJob, std::string("EmptyResult")) );
42
43/** Helper function to enforce binding of FragmentWorker to possible derived
44 * FragmentJob classes.
45 */
46void dummyInit() {
47 SystemCommandJob("/bin/false", "something", JobId::IllegalJob);
48 MPQCCommandJob("nofile", JobId::IllegalJob);
49}
50
51/// Constructor starts the asynchronous connect operation.
52FragmentWorker::FragmentWorker(
53 boost::asio::io_service& io_service,
54 const std::string& host,
55 const std::string& service) :
56 connection_(io_service),
57 result(JobId::IllegalJob),
58 Exitflag(OkFlag)
59{
60 Info info(__FUNCTION__);
61 // Resolve the host name into an IP address.
62 boost::asio::ip::tcp::resolver resolver(io_service);
63 boost::asio::ip::tcp::resolver::query query(host, service);
64 boost::asio::ip::tcp::resolver::iterator endpoint_iterator =
65 resolver.resolve(query);
66 boost::asio::ip::tcp::endpoint endpoint = *endpoint_iterator;
67
68 // Start an asynchronous connect operation.
69 std::cout << "Connecting to endpoint " << endpoint << std::endl;
70 connection_.socket().async_connect(endpoint,
71 boost::bind(&FragmentWorker::handle_connect, this,
72 boost::asio::placeholders::error, ++endpoint_iterator));
73}
74
75/// Handle completion of a connect operation.
76void FragmentWorker::handle_connect(const boost::system::error_code& e,
77 boost::asio::ip::tcp::resolver::iterator endpoint_iterator)
78{
79 Info info(__FUNCTION__);
80 if (!e)
81 {
82 // Successfully established connection. Start operation to read the list
83 // of jobs. The connection::async_read() function will automatically
84 // decode the data that is read from the underlying socket.
85 LOG(1, "INFO: Receiving a job ...");
86 connection_.async_read(job,
87 boost::bind(&FragmentWorker::handle_ReceiveJob, this,
88 boost::asio::placeholders::error));
89 } else if (endpoint_iterator != boost::asio::ip::tcp::resolver::iterator()) {
90 // Try the next endpoint.
91 connection_.socket().close();
92 boost::asio::ip::tcp::endpoint endpoint = *endpoint_iterator;
93 connection_.socket().async_connect(endpoint,
94 boost::bind(&FragmentWorker::handle_connect, this,
95 boost::asio::placeholders::error, ++endpoint_iterator));
96 } else {
97 // An error occurred. Log it and return. Since we are not starting a new
98 // operation the io_service will run out of work to do and the client will
99 // exit.
100 Exitflag = ErrorFlag;
101 ELOG(1, e.message());
102 }
103}
104
105/// Callback function when job has been received.
106void FragmentWorker::handle_ReceiveJob(const boost::system::error_code& e)
107{
108 Info info(__FUNCTION__);
109 if (!e)
110 {
111 LOG(1, "INFO: Received job #" << job->getId() << ".");
112 if (job->getId() != JobId::NoJob) {
113 // Print out the data that was received.
114 std::cout << "Job id: " << job->getId() << "\n";
115
116 // do something .. right now: wait
117 LOG(1, "INFO: Calculating job #" << job->getId() << " ...");
118 FragmentResult::ptr result(job->Work());
119
120 // write the result to the server
121 LOG(1, "INFO: Sending result for job #" << job->getId() << " ...");
122 connection_.async_write(result,
123 boost::bind(&FragmentWorker::handle_SendResult, this,
124 boost::asio::placeholders::error));
125
126 } else {
127 std::cout << "The server has no job for me." << std::endl;
128 // send out empty result
129 LOG(1, "INFO: Sending empty result ...");
130 connection_.async_write(EmptyResult,
131 boost::bind(&FragmentWorker::handle_SendResult, this,
132 boost::asio::placeholders::error));
133 Exitflag = NoJobFlag;
134 }
135 }
136 else
137 {
138 // An error occurred.
139 Exitflag = ErrorFlag;
140 ELOG(1, e.message());
141 }
142
143 // Since we are not starting a new operation the io_service will run out of
144 // work to do and the client will exit.
145}
146
147/// Callback function when result has been sent.
148void FragmentWorker::handle_SendResult(const boost::system::error_code& e)
149{
150 Info info(__FUNCTION__);
151 // Nothing to do.
152 LOG(1, "INFO: Job #" << job->getId() << " calculated and sent.");
153 // erase job
154 job.reset();
155}
156
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