--- trunk/src/applications/openmd/openmd.cpp 2012/09/10 18:38:44 1796 +++ trunk/src/applications/openmd/openmd.cpp 2014/02/26 14:14:50 1969 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012). @@ -72,7 +72,7 @@ int main(int argc, char* argv[]){ // first things first, all of the initializations #ifdef IS_MPI - MPI::Init( argc, argv ); // the MPI communicators + MPI_Init( &argc, &argv ); // the MPI communicators #endif initSimError(); // the error handler @@ -99,12 +99,12 @@ int main(int argc, char* argv[]){ " | / __ \\____ ___ ____ / |/ // __ \\ The Open Molecular Dynamics |\n"<< " | / / / / __ \\/ _ \\/ __ \\ / /|_/ // / / / Engine (formerly OOPSE). |\n"<< " | / /_/ / /_/ / __/ / / // / / // /_/ / |\n"<< - " | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2012 by the |\n"<< + " | \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2013 by the |\n"<< " | /_/ University of Notre Dame. |\n"<< " | |\n"<< " | version " << OPENMD_VERSION_MAJOR << "." << OPENMD_VERSION_MINOR << revision << - " http://www.openmd.net |\n"<< + " http://www.openmd.org |\n"<< " | |\n"<< " | OpenMD is an OpenScience project. All source code is available for any |\n"<< " | use whatsoever under a BSD-style license. |\n"<< @@ -115,7 +115,7 @@ int main(int argc, char* argv[]){ " | |\n"<< " | [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |\n"<< " | [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |\n"<< - " | [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |\n"<< + " | [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |\n"<< " | [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |\n"<< " | [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |\n"<< " | [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012). |\n"<< @@ -229,7 +229,7 @@ int main(int argc, char* argv[]){ errorCheckPoint(); #ifdef IS_MPI - MPI::Finalize(); + MPI_Finalize(); #endif return 0 ;