Bug Summary

File:gromacs/fileio/trajectory_writing.c
Location:line 150, column 13
Description:Value stored to 'bCPT' is never read

Annotated Source Code

1/*
2 * This file is part of the GROMACS molecular simulation package.
3 *
4 * Copyright (c) 2013,2014, by the GROMACS development team, led by
5 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 * and including many others, as listed in the AUTHORS file in the
7 * top-level source directory and at http://www.gromacs.org.
8 *
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34 */
35#ifdef HAVE_CONFIG_H1
36#include <config.h>
37#endif
38
39#include "typedefs.h"
40#include "gromacs/utility/smalloc.h"
41#include "gromacs/math/vec.h"
42#include "sim_util.h"
43#include "mdrun.h"
44#include "confio.h"
45#include "trajectory_writing.h"
46#include "mdoutf.h"
47
48#include "gromacs/timing/wallcycle.h"
49
50void
51do_md_trajectory_writing(FILE *fplog,
52 t_commrec *cr,
53 int nfile,
54 const t_filenm fnm[],
55 gmx_int64_t step,
56 gmx_int64_t step_rel,
57 double t,
58 t_inputrec *ir,
59 t_state *state,
60 t_state *state_global,
61 gmx_mtop_t *top_global,
62 t_forcerec *fr,
63 gmx_mdoutf_t outf,
64 t_mdebin *mdebin,
65 gmx_ekindata_t *ekind,
66 rvec *f,
67 rvec *f_global,
68 gmx_wallcycle_t wcycle,
69 int *nchkpt,
70 gmx_bool bCPT,
71 gmx_bool bRerunMD,
72 gmx_bool bLastStep,
73 gmx_bool bDoConfOut,
74 gmx_bool bSumEkinhOld
75 )
76{
77 int mdof_flags;
78
79 mdof_flags = 0;
80 if (do_per_step(step, ir->nstxout))
81 {
82 mdof_flags |= MDOF_X(1<<0);
83 }
84 if (do_per_step(step, ir->nstvout))
85 {
86 mdof_flags |= MDOF_V(1<<1);
87 }
88 if (do_per_step(step, ir->nstfout))
89 {
90 mdof_flags |= MDOF_F(1<<2);
91 }
92 if (do_per_step(step, ir->nstxout_compressed))
93 {
94 mdof_flags |= MDOF_X_COMPRESSED(1<<3);
95 }
96 if (bCPT)
97 {
98 mdof_flags |= MDOF_CPT(1<<4);
99 }
100 ;
101
102#if defined(GMX_FAHCORE) || defined(GMX_WRITELASTSTEP)
103 if (bLastStep)
104 {
105 /* Enforce writing positions and velocities at end of run */
106 mdof_flags |= (MDOF_X(1<<0) | MDOF_V(1<<1));
107 }
108#endif
109#ifdef GMX_FAHCORE
110 if (MASTER(cr)(((cr)->nodeid == 0) || !((cr)->nnodes > 1)))
111 {
112 fcReportProgress( ir->nsteps, step );
113 }
114
115#if defined(__native_client__)
116 fcCheckin(MASTER(cr)(((cr)->nodeid == 0) || !((cr)->nnodes > 1)));
117#endif
118
119 /* sync bCPT and fc record-keeping */
120 if (bCPT && MASTER(cr)(((cr)->nodeid == 0) || !((cr)->nnodes > 1)))
121 {
122 fcRequestCheckPoint();
123 }
124#endif
125
126 if (mdof_flags != 0)
127 {
128 wallcycle_start(wcycle, ewcTRAJ);
129 if (bCPT)
130 {
131 if (MASTER(cr)(((cr)->nodeid == 0) || !((cr)->nnodes > 1)))
132 {
133 if (bSumEkinhOld)
134 {
135 state_global->ekinstate.bUpToDate = FALSE0;
136 }
137 else
138 {
139 update_ekinstate(&state_global->ekinstate, ekind);
140 state_global->ekinstate.bUpToDate = TRUE1;
141 }
142 update_energyhistory(&state_global->enerhist, mdebin);
143 }
144 }
145 mdoutf_write_to_trajectory_files(fplog, cr, outf, mdof_flags, top_global,
146 step, t, state, state_global, f, f_global);
147 if (bCPT)
148 {
149 (*nchkpt)++;
150 bCPT = FALSE0;
Value stored to 'bCPT' is never read
151 }
152 debug_gmx();
153 if (bLastStep && step_rel == ir->nsteps &&
154 bDoConfOut && MASTER(cr)(((cr)->nodeid == 0) || !((cr)->nnodes > 1)) &&
155 !bRerunMD)
156 {
157 /* x and v have been collected in mdoutf_write_to_trajectory_files,
158 * because a checkpoint file will always be written
159 * at the last step.
160 */
161 fprintf(stderrstderr, "\nWriting final coordinates.\n");
162 if (fr->bMolPBC)
163 {
164 /* Make molecules whole only for confout writing */
165 do_pbc_mtop(fplog, ir->ePBC, state->box, top_global, state_global->x);
166 }
167 write_sto_conf_mtop(ftp2fn(efSTO, nfile, fnm),
168 *top_global->name, top_global,
169 state_global->x, state_global->v,
170 ir->ePBC, state->box);
171 debug_gmx();
172 }
173 wallcycle_stop(wcycle, ewcTRAJ);
174 }
175}