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| 5 |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: do_Forces.F90,v 1.37 2003-11-21 19:31:05 chrisfen Exp $, $Date: 2003-11-21 19:31:05 $, $Name: not supported by cvs2svn $, $Revision: 1.37 $ |
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!! @version $Id: do_Forces.F90,v 1.39 2003-12-19 17:25:00 mmeineke Exp $, $Date: 2003-12-19 17:25:00 $, $Name: not supported by cvs2svn $, $Revision: 1.39 $ |
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module do_Forces |
| 10 |
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use force_globals |
| 46 |
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public :: setRlistDF |
| 47 |
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|
| 48 |
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#ifdef PROFILE |
| 49 |
< |
real(kind = dp) :: forceTime |
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< |
real(kind = dp) :: forceTimeInitial, forceTimeFinal |
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real(kind = dp) :: globalForceTime |
| 52 |
< |
real(kind = dp) :: maxForceTime |
| 53 |
< |
integer, save :: nloops = 0 |
| 49 |
> |
public :: getforcetime |
| 50 |
> |
real, save :: forceTime = 0 |
| 51 |
> |
real :: forceTimeInitial, forceTimeFinal |
| 52 |
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#endif |
| 53 |
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|
| 54 |
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contains |
| 694 |
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tau = tau_Temp |
| 695 |
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virial = virial_Temp |
| 696 |
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endif |
| 697 |
< |
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| 697 |
> |
|
| 698 |
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#endif |
| 699 |
< |
|
| 700 |
< |
#ifdef PROFILE |
| 701 |
< |
if (do_pot) then |
| 704 |
< |
|
| 705 |
< |
#ifdef IS_MPI |
| 706 |
< |
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| 707 |
< |
|
| 708 |
< |
call printCommTime() |
| 709 |
< |
|
| 710 |
< |
call mpi_allreduce(forceTime,globalForceTime,1,MPI_DOUBLE_PRECISION, & |
| 711 |
< |
mpi_sum,mpi_comm_world,mpi_err) |
| 712 |
< |
|
| 713 |
< |
call mpi_allreduce(forceTime,maxForceTime,1,MPI_DOUBLE_PRECISION, & |
| 714 |
< |
MPI_MAX,mpi_comm_world,mpi_err) |
| 715 |
< |
|
| 716 |
< |
call mpi_comm_size( MPI_COMM_WORLD, nprocs,mpi_err) |
| 717 |
< |
|
| 718 |
< |
if (getMyNode() == 0) then |
| 719 |
< |
write(*,*) "Total processor time spent in force calculations is: ", globalForceTime |
| 720 |
< |
write(*,*) "Total Time spent in force loop per processor is: ", globalforceTime/nprocs |
| 721 |
< |
write(*,*) "Maximum force time on any processor is: ", maxForceTime |
| 722 |
< |
end if |
| 723 |
< |
#else |
| 724 |
< |
write(*,*) "Time spent in force loop is: ", forceTime |
| 725 |
< |
#endif |
| 726 |
< |
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| 727 |
< |
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| 728 |
< |
endif |
| 729 |
< |
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| 730 |
< |
#endif |
| 731 |
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| 699 |
> |
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| 700 |
> |
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| 701 |
> |
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end subroutine do_force_loop |
| 703 |
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| 704 |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
| 1088 |
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doesit = FF_uses_RF |
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end function FF_RequiresPostpairCalc |
| 1090 |
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|
| 1091 |
+ |
#ifdef PROFILE |
| 1092 |
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function getforcetime() return(totalforcetime) |
| 1093 |
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real(kind=dp) :: totalforcetime |
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totalforcetime = forcetime |
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end function getforcetime |
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#endif |
| 1097 |
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|
| 1098 |
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!! This cleans componets of force arrays belonging only to fortran |
| 1099 |
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| 1100 |
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end module do_Forces |
