# | Line 35 | Line 35 | |
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35 | * | |
36 | * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | |
37 | * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | |
38 | < | * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 | > | * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 | * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). | |
40 | * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | |
41 | * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012). | |
# | Line 50 | Line 50 | |
50 | #include <locale> | |
51 | #include "utils/simError.h" | |
52 | #include "utils/CaseConversion.hpp" | |
53 | + | #include "utils/Revision.hpp" |
54 | #include "brains/Register.hpp" | |
55 | #include "brains/SimCreator.hpp" | |
56 | #include "brains/SimInfo.hpp" | |
# | Line 72 | Line 73 | int main(int argc, char* argv[]){ | |
73 | // first things first, all of the initializations | |
74 | ||
75 | #ifdef IS_MPI | |
76 | < | MPI::Init( argc, argv ); // the MPI communicators |
76 | > | MPI_Init( &argc, &argv ); // the MPI communicators |
77 | #endif | |
78 | ||
79 | initSimError(); // the error handler | |
80 | //srand48( 1337 ); // the random number generator. | |
81 | ||
82 | < | std::string svnrev; |
82 | > | std::string svnrev(g_REVISION, strnlen(g_REVISION, 20)); |
83 | //convert a macro from compiler to a string in c++ | |
84 | < | STR_DEFINE(svnrev, SVN_REV ); |
84 | > | //STR_DEFINE(svnrev, SVN_REV ); |
85 | ||
86 | std::string revision; | |
87 | ||
# | Line 99 | Line 100 | int main(int argc, char* argv[]){ | |
100 | " | / __ \\____ ___ ____ / |/ // __ \\ The Open Molecular Dynamics |\n"<< | |
101 | " | / / / / __ \\/ _ \\/ __ \\ / /|_/ // / / / Engine (formerly OOPSE). |\n"<< | |
102 | " | / /_/ / /_/ / __/ / / // / / // /_/ / |\n"<< | |
103 | < | " | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2012 by the |\n"<< |
103 | > | " | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2014 by the |\n"<< |
104 | " | /_/ University of Notre Dame. |\n"<< | |
105 | " | |\n"<< | |
106 | " | version " << | |
107 | OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << revision << | |
108 | < | " http://www.openmd.net |\n"<< |
108 | > | " http://www.openmd.org |\n"<< |
109 | " | |\n"<< | |
110 | " | OpenMD is an OpenScience project. All source code is available for any |\n"<< | |
111 | " | use whatsoever under a BSD-style license. |\n"<< | |
# | Line 115 | Line 116 | int main(int argc, char* argv[]){ | |
116 | " | |\n"<< | |
117 | " | [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |\n"<< | |
118 | " | [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |\n"<< | |
119 | < | " | [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |\n"<< |
119 | > | " | [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |\n"<< |
120 | " | [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |\n"<< | |
121 | " | [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |\n"<< | |
122 | " | [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012). |\n"<< | |
# | Line 229 | Line 230 | int main(int argc, char* argv[]){ | |
230 | errorCheckPoint(); | |
231 | ||
232 | #ifdef IS_MPI | |
233 | < | MPI::Finalize(); |
233 | > | MPI_Finalize(); |
234 | #endif | |
235 | ||
236 | return 0 ; |
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