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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10491 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-07-30 19:52:46 +00:00
parent 8fff5ac7a1
commit 059eb04e39
5 changed files with 148 additions and 1 deletions
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14
src/lammps.cpp
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@ -39,6 +39,7 @@
#include "modify.h"
#include "group.h"
#include "output.h"
#include "citeme.h"
#include "accelerator_cuda.h"
#include "accelerator_omp.h"
#include "timer.h"
@ -73,7 +74,9 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
int partscreenflag = 0;
int partlogflag = 0;
int cudaflag = -1;
int citeflag = 1;
int helpflag = 0;
suffix = NULL;
suffix_enable = 0;
@ -156,6 +159,10 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
error->universe_all(FLERR,"Cannot use -reorder after -partition");
universe->reorder(arg[iarg+1],arg[iarg+2]);
iarg += 3;
} else if (strcmp(arg[iarg],"-nocite") == 0 ||
strcmp(arg[iarg],"-nc") == 0) {
citeflag = 0;
iarg++;
} else if (strcmp(arg[iarg],"-help") == 0 ||
strcmp(arg[iarg],"-h") == 0) {
if (iarg+1 > narg)
@ -393,6 +400,11 @@ LAMMPS::LAMMPS(int narg, char **arg, MPI_Comm communicator)
MPI_Comm_rank(world,&me);
if (cuda && me == 0) error->message(FLERR,"USER-CUDA mode is enabled");
// allocate CiteMe class if enabled
if (citeflag) citeme = new CiteMe(this);
else citeme = NULL;
// allocate input class now that MPI is fully setup
input = new Input(this,narg,arg);
@ -422,6 +434,8 @@ LAMMPS::~LAMMPS()
{
destroy();
delete citeme;
if (universe->nworlds == 1) {
if (logfile) fclose(logfile);
} else {