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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 1.40 2003-12-19 20:36:35 mmeineke Exp $, $Date: 2003-12-19 20:36:35 $, $Name: not supported by cvs2svn $, $Revision: 1.40 $ |
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module do_Forces |
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use force_globals |
| 46 |
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public :: setRlistDF |
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| 48 |
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#ifdef PROFILE |
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< |
real(kind = dp) :: forceTime |
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< |
real(kind = dp) :: forceTimeInitial, forceTimeFinal |
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real(kind = dp) :: globalForceTime |
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< |
real(kind = dp) :: maxForceTime |
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< |
integer, save :: nloops = 0 |
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> |
public :: getforcetime |
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> |
real, save :: forceTime = 0 |
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> |
real :: forceTimeInitial, forceTimeFinal |
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> |
integer :: nLoops |
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#endif |
| 54 |
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|
| 55 |
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contains |
| 695 |
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tau = tau_Temp |
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virial = virial_Temp |
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endif |
| 698 |
< |
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| 698 |
> |
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| 699 |
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#endif |
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| 701 |
< |
#ifdef PROFILE |
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if (do_pot) then |
| 704 |
< |
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#ifdef IS_MPI |
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| 707 |
< |
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| 708 |
< |
call printCommTime() |
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< |
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| 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) |
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< |
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| 718 |
< |
if (getMyNode() == 0) then |
| 719 |
< |
write(*,*) "Total processor time spent in force calculations is: ", globalForceTime |
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< |
write(*,*) "Total Time spent in force loop per processor is: ", globalforceTime/nprocs |
| 721 |
< |
write(*,*) "Maximum force time on any processor is: ", maxForceTime |
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< |
end if |
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< |
#else |
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< |
write(*,*) "Time spent in force loop is: ", forceTime |
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#endif |
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| 727 |
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endif |
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#endif |
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> |
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end subroutine do_force_loop |
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subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot) |
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doesit = FF_uses_RF |
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end function FF_RequiresPostpairCalc |
| 1091 |
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#ifdef PROFILE |
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function getforcetime() result(totalforcetime) |
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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 |
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|
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!! This cleans componets of force arrays belonging only to fortran |
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end module do_Forces |
