1 //
2 // Copyright (C) 2013 Quantum ESPRESSO group
3 // This file is distributed under the terms of the
4 // GNU General Public License. See the file `License'
5 // in the root directory of the present distribution,
6 // or http://www.gnu.org/copyleft/gpl.txt .
7 //
8
9 #include <mpi.h>
10 #include <cstring>
11 #include <cstdlib>
12 #include <iostream>
13 #include "libqecouple.h"
14
15 // ... Test program for Q-E library interface
main(int argc,char ** argv)16 int main(int argc, char **argv)
17 {
18 int retval, pw_comm, ncpu, key, me;
19 char input[81] = { ' ', '\0' };
20 MPI_Comm new_comm;
21
22 MPI_Init(&argc, &argv);
23 MPI_Comm_size(MPI_COMM_WORLD,&ncpu);
24 MPI_Comm_rank(MPI_COMM_WORLD,&me);
25
26 // parse command line flags.
27 int i=1;
28 int nimage=1, npots=1, npools=1, ntg=1, nband=1, ndiag=1, nres=0;
29 while (i < argc-1) {
30 if (strncmp("-i",argv[i],2) == 0) {
31 ++i;
32 strncpy(input, argv[i], 80);
33 input[80] = '\0';
34 ++i;
35 continue;
36 }
37 if (strncmp("-ni",argv[i],3) == 0) {
38 ++i;
39 nimage=std::atoi(argv[i]);
40 ++i;
41 continue;
42 }
43 if (strncmp("-npot",argv[i],5) == 0) {
44 ++i;
45 npots=std::atoi(argv[i]);
46 ++i;
47 continue;
48 }
49 if ((strncmp("-nk",argv[i],3) == 0)
50 || (strncmp("-npoo",argv[i],5) == 0)) {
51 ++i;
52 ndiag=std::atoi(argv[i]);
53 ++i;
54 continue;
55 }
56 if (strncmp("-nt",argv[i],3) == 0) {
57 ++i;
58 ntg=std::atoi(argv[i]);
59 ++i;
60 continue;
61 }
62 if (strncmp("-nb",argv[i],3) == 0) {
63 ++i;
64 nband=std::atoi(argv[i]);
65 ++i;
66 continue;
67 }
68 if ((strncmp("-nd",argv[i],3) == 0)
69 || (strncmp("-no",argv[i],3) == 0)
70 || (strcmp("-nproc_diag",argv[i]) == 0)
71 || (strcmp("-nproc_ortho",argv[i]) == 0)) {
72 ++i;
73 ndiag=std::atoi(argv[i]);
74 ++i;
75 continue;
76 }
77 if (strncmp("-nr",argv[i],3) == 0) {
78 ++i;
79 nres=std::atoi(argv[i]);
80 ++i;
81 continue;
82 }
83 std::cerr << "usage: " << argv[0] << " -flag1 <value1> -flag2 <value2>\n"
84 << std::endl;
85 return -1;
86 }
87
88 if (i != argc) {
89 std::cerr << "usage: " << argv[0] << " -flag1 <value1> -flag2 <value2>\n"
90 << std::endl;
91 return -1;
92 }
93
94 // Create new C-style communicator and convert to Fortran
95 key = MPI_UNDEFINED;
96 if (me < (ncpu - nres))
97 key = 1;
98
99 MPI_Comm_split(MPI_COMM_WORLD, key, me, &new_comm);
100
101 if (new_comm != MPI_COMM_NULL) {
102 pw_comm = MPI_Comm_c2f(new_comm);
103 // call Q-E
104 c2libcpv(pw_comm,nimage,npots,npools,ntg,nband,ndiag,&retval,input);
105
106 std::cout << " rank " << me << " return value is: " << retval << std::endl;
107 } else {
108 std::cout << " rank " << me << " of " << ncpu -1 << " is reserved" << std::endl;
109 retval = 0;
110 }
111
112
113 MPI_Finalize();
114 return retval;
115 }
116