From b35f4e52db88fee52975dd53c23625310a0fa3bb Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Fri, 17 Jul 2015 15:04:19 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/min.cpp | 7 +++++--
src/neigh_list.cpp | 2 +-
src/neighbor.cpp | 4 ++++
src/respa.cpp | 7 ++++++-
src/verlet.cpp | 7 ++++++-
5 files changed, 22 insertions(+), 5 deletions(-)
diff --git a/src/min.cpp b/src/min.cpp
index 953412ca90..12afac4037 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 47eb34bb86..56577ed63c 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 d2face512f..ade7dc956c 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 b648b8bfc6..549415f16f 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 fa5c11e3dc..b052a37bc0 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;
--
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