From 42ef87755e82549f4c5530e7d308528668dae915 Mon Sep 17 00:00:00 2001
From: stamoor <stamoor@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 9 Jul 2015 22:44:52 +0000
Subject: [PATCH] Fixing Kokkos bug with restarts
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/KOKKOS/atom_vec_angle_kokkos.cpp | 7 +++++++
src/KOKKOS/atom_vec_atomic_kokkos.cpp | 5 +++++
src/KOKKOS/atom_vec_bond_kokkos.cpp | 5 ++++-
src/KOKKOS/atom_vec_charge_kokkos.cpp | 6 ++++++
src/KOKKOS/atom_vec_full_kokkos.cpp | 8 ++++++++
src/KOKKOS/atom_vec_molecular_kokkos.cpp | 8 ++++++++
6 files changed, 38 insertions(+), 1 deletion(-)
diff --git a/src/KOKKOS/atom_vec_angle_kokkos.cpp b/src/KOKKOS/atom_vec_angle_kokkos.cpp
index d78014120f..5217435b51 100644
--- a/src/KOKKOS/atom_vec_angle_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_angle_kokkos.cpp
@@ -1501,6 +1501,10 @@ int AtomVecAngleKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1);
@@ -1551,6 +1555,9 @@ int AtomVecAngleKokkos::unpack_restart(double *buf)
if (atom->nextra_store)
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;
h_x(nlocal,0) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
index bedda8a0bd..ddef28df2d 100644
--- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
@@ -1179,6 +1179,9 @@ int AtomVecAtomicKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1);
@@ -1211,6 +1214,8 @@ int AtomVecAtomicKokkos::unpack_restart(double *buf)
if (atom->nextra_store)
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;
h_x(nlocal,0) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp
index a991c594f3..c04cc893be 100644
--- a/src/KOKKOS/atom_vec_bond_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp
@@ -1389,6 +1389,8 @@ int AtomVecBondKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
buf[m++] = h_x(i,1);
@@ -1431,7 +1433,8 @@ int AtomVecBondKokkos::unpack_restart(double *buf)
if (atom->nextra_store)
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;
h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_charge_kokkos.cpp b/src/KOKKOS/atom_vec_charge_kokkos.cpp
index 0bcc594f75..40b87c91b2 100644
--- a/src/KOKKOS/atom_vec_charge_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_charge_kokkos.cpp
@@ -1256,6 +1256,9 @@ int AtomVecChargeKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
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");
}
+ modified(Host,X_MASK | V_MASK | TAG_MASK | TYPE_MASK |
+ MASK_MASK | IMAGE_MASK | Q_MASK);
+
int m = 1;
h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp
index 0d3893432e..a8472b4713 100644
--- a/src/KOKKOS/atom_vec_full_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_full_kokkos.cpp
@@ -1794,6 +1794,10 @@ int AtomVecFullKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
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");
}
+ 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;
h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++];
diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.cpp b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
index 256514eb7f..a577dda355 100644
--- a/src/KOKKOS/atom_vec_molecular_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
@@ -1722,6 +1722,10 @@ int AtomVecMolecularKokkos::size_restart()
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;
buf[m++] = h_x(i,0);
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");
}
+ 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;
h_x(nlocal,0) = buf[m++];
h_x(nlocal,1) = buf[m++];
--
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