| 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 |  | */ | 
| 42 |  |  | 
| 43 | + | #ifdef IS_MPI | 
| 44 | + | #include <mpi.h> | 
| 45 | + | #endif | 
| 46 | + |  | 
| 47 |  | #include <iostream> | 
| 48 |  | #include <cstdlib> | 
| 49 |  |  | 
| 56 |  | #else | 
| 57 |  | #include <cstdio> | 
| 58 |  | #include <sys/ioctl.h> | 
| 59 | + | #include <unistd.h> | 
| 60 |  | #endif | 
| 61 |  |  | 
| 57 | – | #ifdef IS_MPI | 
| 58 | – | #include <mpi.h> | 
| 59 | – | #endif | 
| 60 | – |  | 
| 62 |  | #include "utils/ProgressBar.hpp" | 
| 63 |  |  | 
| 64 |  | using namespace std; | 
| 72 |  |  | 
| 73 |  | void ProgressBar::clear() { | 
| 74 |  | #ifdef IS_MPI | 
| 75 | < | if (MPI::COMM_WORLD.Get_rank() == 0) { | 
| 75 | > | int myRank; | 
| 76 | > | MPI_Comm_rank( MPI_COMM_WORLD, &myRank); | 
| 77 | > | if (myRank == 0) { | 
| 78 |  | #endif | 
| 79 |  | cout << endl; | 
| 80 |  | cout.flush(); | 
| 89 |  |  | 
| 90 |  | void ProgressBar::update() { | 
| 91 |  |  | 
| 89 | – | int width; | 
| 90 | – |  | 
| 92 |  | #ifdef IS_MPI | 
| 93 | < | if (MPI::COMM_WORLD.Get_rank() == 0) { | 
| 93 | > | int myRank; | 
| 94 | > | MPI_Comm_rank( MPI_COMM_WORLD, &myRank); | 
| 95 | > | if (myRank == 0) { | 
| 96 |  | #endif | 
| 97 |  |  | 
| 98 |  | // only do the progress bar if we are actually running in a tty: | 
| 99 |  | if (isatty(fileno(stdout))  && (getenv("SGE_TASK_ID")==NULL)) { | 
| 100 |  | // get the window width: | 
| 101 |  |  | 
| 102 | + | int width = 0; | 
| 103 |  | #ifdef _MSC_VER | 
| 104 |  | CONSOLE_SCREEN_BUFFER_INFO csbi; | 
| 105 | < | int ret = GetConsoleScreenBufferInfo(GetStdHandle( STD_OUTPUT_HANDLE ), | 
| 106 | < | &csbi); | 
| 105 | > | HANDLE hConsole = GetStdHandle( STD_OUTPUT_HANDLE ); | 
| 106 | > | int ret = GetConsoleScreenBufferInfo(hConsole, &csbi); | 
| 107 |  | if(ret) { | 
| 108 | < | width = csbi.dwSize.X; | 
| 109 | < | } | 
| 108 | > | width = csbi.dwSize.X - 1; | 
| 109 | > | } | 
| 110 |  | #else | 
| 111 |  | struct winsize w; | 
| 112 |  | ioctl(fileno(stdout), TIOCGWINSZ, &w); | 
| 134 |  |  | 
| 135 |  | // compute the best estimate of the ending time: | 
| 136 |  | time_t current_ = time(NULL); | 
| 137 | < | time_t end_ = start_ + (current_ - start_) * (100.0/percent); | 
| 137 | > | time_t end_ = static_cast<time_t>(start_ + (current_ - start_) * | 
| 138 | > | (100.0/percent) ); | 
| 139 |  | struct tm * ender = localtime(&end_); | 
| 140 |  | char buffer[22]; | 
| 141 |  | strftime(buffer, 22, "%a %b %d @ %I:%M %p", ender); | 
| 142 | < |  | 
| 142 | > |  | 
| 143 | > | #ifdef _MSC_VER | 
| 144 | > | csbi.dwCursorPosition.X = 0; | 
| 145 | > | SetConsoleCursorPosition(hConsole, csbi.dwCursorPosition); | 
| 146 | > | #else | 
| 147 |  | cout << '\r'; | 
| 148 | + | #endif | 
| 149 |  | cout.width(3); | 
| 150 |  | cout << right << int(percent); | 
| 151 |  | cout.width(3); |