| 3 |
|
#include <iostream> |
| 4 |
|
#include <cmath> |
| 5 |
|
#include <string> |
| 6 |
+ |
#include <sys/time.h> |
| 7 |
|
|
| 8 |
|
#include "SimSetup.hpp" |
| 9 |
|
#include "ReadWrite.hpp" |
| 767 |
|
|
| 768 |
|
info[i].setBox( boxVector ); |
| 769 |
|
} |
| 770 |
+ |
} |
| 771 |
|
|
| 772 |
+ |
int seedValue; |
| 773 |
+ |
struct timeval now_time_val; |
| 774 |
+ |
struct timezone time_zone; |
| 775 |
+ |
|
| 776 |
+ |
if(globals->haveSeed()){ |
| 777 |
+ |
seedValue = globals->getSeed(); |
| 778 |
|
} |
| 779 |
< |
|
| 779 |
> |
else{ |
| 780 |
> |
#ifndef IS_MPI |
| 781 |
> |
gettimeofday(&now_time_val, &time_zone); // get the time now |
| 782 |
> |
seedValue = (int) now_time_val.tv_sec; // convert to epoch time |
| 783 |
> |
#else |
| 784 |
> |
if(worldRank == 0){ |
| 785 |
> |
gettimeofday(&now_time_val, &time_zone); // get the time now |
| 786 |
> |
seedValue = (int) now_time_val.tv_sec; // convert to epoch time |
| 787 |
> |
} |
| 788 |
> |
MPI_Bcast(&seedValue, 1, MPI_INT, 0, MPI_COMM_WORLD); |
| 789 |
> |
#endif |
| 790 |
> |
} |
| 791 |
> |
|
| 792 |
> |
for(int i = 0; i < nInfo; i++){ |
| 793 |
> |
info[i].setSeed(seedValue); |
| 794 |
> |
} |
| 795 |
> |
|
| 796 |
|
#ifdef IS_MPI |
| 797 |
|
strcpy( checkPointMsg, "Succesfully gathered all information from Bass\n" ); |
| 798 |
|
MPIcheckPoint(); |
| 915 |
|
|
| 916 |
|
char* inName; |
| 917 |
|
|
| 894 |
– |
|
| 918 |
|
(info[0].getConfiguration())->createArrays( info[0].n_atoms ); |
| 919 |
< |
|
| 919 |
> |
|
| 920 |
|
for(i=0; i<info[0].n_atoms; i++) info[0].atoms[i]->setCoords(); |
| 921 |
|
|
| 922 |
|
if( globals->haveInitialConfig() ){ |
