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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @author J. Daniel Gezelter |
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< |
!! @version $Id: neighborLists.F90,v 1.5 2003-08-08 21:22:37 chuckv Exp $, |
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> |
!! @version $Id: neighborLists.F90,v 1.6 2003-09-05 21:28:19 gezelter Exp $, |
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|
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module neighborLists |
| 12 |
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|
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!! If one is associated and one is not, something is wrong |
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!! and return a error. |
| 61 |
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|
| 62 |
< |
#ifndef IS_MPI !!/Non MPI |
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> |
#ifdef IS_MPI !! // MPI |
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if (.not. associated(point) .and. & |
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.not. associated(list) ) then |
| 65 |
< |
allocate(point(natoms),stat=alloc_error) |
| 65 |
> |
allocate(point(getNRow(plan_row)),stat=alloc_error) |
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if (alloc_error /= 0) then |
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write(default_error,*) & |
| 68 |
< |
"ExpandNeighborLists: Error in allocating point" |
| 69 |
< |
error = -1 |
| 68 |
> |
"ExpandNeighborLists: Error in allocating MPI point" |
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> |
error = -1 |
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return |
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end if |
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< |
allocate(list(listMultiplier * natoms),stat=alloc_error) |
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> |
allocate(list(listMultiplier * getNCol(plan_col)),stat=alloc_error) |
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if (alloc_error /= 0) then |
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write(default_error,*) & |
| 75 |
< |
"ExpandNeighborLists: Error in allocating list" |
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> |
"ExpandNeighborLists: Error in allocating MPI list" |
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error = -1 |
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return |
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end if |
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nAllocations = nAllocations + 1 |
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return |
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end if |
| 83 |
< |
#else !!// MPI |
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> |
#else !! // NONMPI |
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if (.not. associated(point) .and. & |
| 85 |
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.not. associated(list) ) then |
| 86 |
< |
allocate(point(getNRow(plan_row)),stat=alloc_error) |
| 86 |
> |
allocate(point(natoms),stat=alloc_error) |
| 87 |
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if (alloc_error /= 0) then |
| 88 |
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write(default_error,*) & |
| 89 |
< |
"ExpandNeighborLists: Error in allocating MPI point" |
| 90 |
< |
error = -1 |
| 89 |
> |
"ExpandNeighborLists: Error in allocating point" |
| 90 |
> |
error = -1 |
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return |
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end if |
| 93 |
< |
allocate(list(listMultiplier * getNCol(plan_col)),stat=alloc_error) |
| 93 |
> |
allocate(list(listMultiplier * natoms),stat=alloc_error) |
| 94 |
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if (alloc_error /= 0) then |
| 95 |
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write(default_error,*) & |
| 96 |
< |
"ExpandNeighborLists: Error in allocating MPI list" |
| 96 |
> |
"ExpandNeighborLists: Error in allocating list" |
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error = -1 |
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return |
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end if |
