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Fixing Kokkos bug with restarts 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
stamoor 2015-07-09 22:44:52 +00:00
parent 616e95e1e8
commit 42ef87755e
6 changed files with 38 additions and 1 deletions
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7
src/KOKKOS/atom_vec_angle_kokkos.cpp
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@ -1501,6 +1501,10 @@ int AtomVecAngleKokkos::size_restart()
int AtomVecAngleKokkos::pack_restart(int i, double *buf) int AtomVecAngleKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1551,6 +1555,9 @@ int AtomVecAngleKokkos::unpack_restart(double *buf)
if (atom->nextra_store) if (atom->nextra_store)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];

5
src/KOKKOS/atom_vec_atomic_kokkos.cpp
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@ -1179,6 +1179,9 @@ int AtomVecAtomicKokkos::size_restart()
int AtomVecAtomicKokkos::pack_restart(int i, double *buf) int AtomVecAtomicKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK );
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1211,6 +1214,8 @@ int AtomVecAtomicKokkos::unpack_restart(double *buf)
if (atom->nextra_store) if (atom->nextra_store)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK );
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];

5
src/KOKKOS/atom_vec_bond_kokkos.cpp
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@ -1389,6 +1389,8 @@ int AtomVecBondKokkos::size_restart()
int AtomVecBondKokkos::pack_restart(int i, double *buf) int AtomVecBondKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1431,7 +1433,8 @@ int AtomVecBondKokkos::unpack_restart(double *buf)
if (atom->nextra_store) if (atom->nextra_store)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++]; h_x(nlocal,1) = buf[m++];

6
src/KOKKOS/atom_vec_charge_kokkos.cpp
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@ -1256,6 +1256,9 @@ int AtomVecChargeKokkos::size_restart()
int AtomVecChargeKokkos::pack_restart(int i, double *buf) int AtomVecChargeKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | Q_MASK);
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1291,6 +1294,9 @@ int AtomVecChargeKokkos::unpack_restart(double *buf)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | Q_MASK);
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++]; h_x(nlocal,1) = buf[m++];

8
src/KOKKOS/atom_vec_full_kokkos.cpp
View File

@ -1794,6 +1794,10 @@ int AtomVecFullKokkos::size_restart()
int AtomVecFullKokkos::pack_restart(int i, double *buf) int AtomVecFullKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1864,6 +1868,10 @@ int AtomVecFullKokkos::unpack_restart(double *buf)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | Q_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++]; h_x(nlocal,1) = buf[m++];

8
src/KOKKOS/atom_vec_molecular_kokkos.cpp
View File

@ -1722,6 +1722,10 @@ int AtomVecMolecularKokkos::size_restart()
int AtomVecMolecularKokkos::pack_restart(int i, double *buf) int AtomVecMolecularKokkos::pack_restart(int i, double *buf)
{ {
sync(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
buf[m++] = h_x(i,0); buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1); buf[m++] = h_x(i,1);
@ -1791,6 +1795,10 @@ int AtomVecMolecularKokkos::unpack_restart(double *buf)
memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra"); memory->grow(atom->extra,nmax,atom->nextra_store,"atom:extra");
} }
modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
MASK_MASK | IMAGE_MASK | MOLECULE_MASK | BOND_MASK |
ANGLE_MASK | DIHEDRAL_MASK | IMPROPER_MASK | SPECIAL_MASK);
int m = 1; int m = 1;
h_x(nlocal,0) = buf[m++]; h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++]; h_x(nlocal,1) = buf[m++];