diff --git a/src/min.cpp b/src/min.cpp index 953412ca90b6c4857898e2db69541a85d0284617..12afac40370a6dfbc4683cda31349d5dbb22a545 100644 --- a/src/min.cpp +++ b/src/min.cpp @@ -182,8 +182,11 @@ void Min::init() void Min::setup() { - if (comm->me == 0 && screen) fprintf(screen,"Setting up minimization ...\n"); - + if (comm->me == 0 && screen) { + fprintf(screen,"Setting up %s style minimization ...\n", + update->minimize_style); + fprintf(screen," Unit style: %s\n", update->unit_style); + } update->setupflag = 1; // setup extra global dof due to fixes diff --git a/src/neigh_list.cpp b/src/neigh_list.cpp index 47eb34bb86ae11dc67c881729bcd5fa05d819f25..56577ed63ced2215e3f5fff149e4a3cdca81a6e2 100644 --- a/src/neigh_list.cpp +++ b/src/neigh_list.cpp @@ -255,7 +255,7 @@ void NeighList::print_attributes() printf(" %d = copy\n",rq->copy); printf(" %d = skip\n",rq->skip); printf(" %d = otherlist\n",rq->otherlist); - printf(" %p = listskip\n",listskip); + printf(" %p = listskip\n",(void *)listskip); printf("\n"); } diff --git a/src/neighbor.cpp b/src/neighbor.cpp index d2face512fdaeb2ae2c4bdaec44fbca0700c7233..ade7dc956c08e8bb624caac3cdf3751f62c4bfc6 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -793,12 +793,15 @@ void Neighbor::init() if (!same || every != old_every || delay != old_delay || old_check != dist_check || old_cutoff != cutneighmax) { if (me == 0) { + const double cutghost = MAX(cutneighmax,comm->cutghostuser); + if (logfile) { fprintf(logfile,"Neighbor list info ...\n"); fprintf(logfile," %d neighbor list requests\n",nrequest); fprintf(logfile," update every %d steps, delay %d steps, check %s\n", every,delay,dist_check ? "yes" : "no"); fprintf(logfile," master list distance cutoff = %g\n",cutneighmax); + fprintf(logfile," ghost atom cutoff = %g\n",cutghost); } if (screen) { fprintf(screen,"Neighbor list info ...\n"); @@ -806,6 +809,7 @@ void Neighbor::init() fprintf(screen," update every %d steps, delay %d steps, check %s\n", every,delay,dist_check ? "yes" : "no"); fprintf(screen," master list distance cutoff = %g\n",cutneighmax); + fprintf(screen," ghost atom cutoff = %g\n",cutghost); } } } diff --git a/src/respa.cpp b/src/respa.cpp index b648b8bfc69acbf2305ee3263879ce5ce6ec2226..549415f16ff6cfc2a5fada5c5044081ec1a8ff09 100644 --- a/src/respa.cpp +++ b/src/respa.cpp @@ -323,7 +323,12 @@ void Respa::init() void Respa::setup() { - if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n"); + if (comm->me == 0 && screen) { + fprintf(screen,"Setting up r-RESPA run ...\n"); + fprintf(screen," Unit style : %s\n", update->unit_style); + fprintf(screen," Current step : " BIGINT_FORMAT "\n", update->ntimestep); + fprintf(screen," OuterTime step: %g\n", update->dt); + } update->setupflag = 1; diff --git a/src/verlet.cpp b/src/verlet.cpp index fa5c11e3dcfdb3f2f12a5c5f526dfbcd3a1ff47a..b052a37bc03a11334fa0c926f4f8f469c0f6379e 100644 --- a/src/verlet.cpp +++ b/src/verlet.cpp @@ -87,7 +87,12 @@ void Verlet::init() void Verlet::setup() { - if (comm->me == 0 && screen) fprintf(screen,"Setting up run ...\n"); + if (comm->me == 0 && screen) { + fprintf(screen,"Setting up Verlet run ...\n"); + fprintf(screen," Unit style : %s\n", update->unit_style); + fprintf(screen," Current step: " BIGINT_FORMAT "\n", update->ntimestep); + fprintf(screen," Time step : %g\n", update->dt); + } update->setupflag = 1;