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Make memory_kokkos its own class

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This commit is contained in:
Stan Moore
2017-12-01 09:13:31 -07:00
parent 83ec9815fe
commit 15a3364c2c
87 changed files with 850 additions and 826 deletions
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134
src/KOKKOS/atom_kokkos.cpp
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@ -19,7 +19,7 @@
#include "update.h"
#include "domain.h"
#include "atom_masks.h"
#include "memory.h"
#include "memory_kokkos.h"
#include "error.h"
#include "kokkos.h"
@ -33,59 +33,59 @@ AtomKokkos::AtomKokkos(LAMMPS *lmp) : Atom(lmp) {}
AtomKokkos::~AtomKokkos()
{
memory->destroy_kokkos(k_tag, tag);
memory->destroy_kokkos(k_mask, mask);
memory->destroy_kokkos(k_type, type);
memory->destroy_kokkos(k_image, image);
memory->destroy_kokkos(k_molecule, molecule);
memoryKK->destroy_kokkos(k_tag, tag);
memoryKK->destroy_kokkos(k_mask, mask);
memoryKK->destroy_kokkos(k_type, type);
memoryKK->destroy_kokkos(k_image, image);
memoryKK->destroy_kokkos(k_molecule, molecule);
memory->destroy_kokkos(k_x, x);
memory->destroy_kokkos(k_v, v);
memory->destroy_kokkos(k_f, f);
memoryKK->destroy_kokkos(k_x, x);
memoryKK->destroy_kokkos(k_v, v);
memoryKK->destroy_kokkos(k_f, f);
memory->destroy_kokkos(k_mass, mass);
memory->destroy_kokkos(k_q, q);
memoryKK->destroy_kokkos(k_mass, mass);
memoryKK->destroy_kokkos(k_q, q);
memory->destroy_kokkos(k_radius, radius);
memory->destroy_kokkos(k_rmass, rmass);
memory->destroy_kokkos(k_omega, omega);
memory->destroy_kokkos(k_angmom, angmom);
memory->destroy_kokkos(k_torque, torque);
memoryKK->destroy_kokkos(k_radius, radius);
memoryKK->destroy_kokkos(k_rmass, rmass);
memoryKK->destroy_kokkos(k_omega, omega);
memoryKK->destroy_kokkos(k_angmom, angmom);
memoryKK->destroy_kokkos(k_torque, torque);
memory->destroy_kokkos(k_nspecial, nspecial);
memory->destroy_kokkos(k_special, special);
memory->destroy_kokkos(k_num_bond, num_bond);
memory->destroy_kokkos(k_bond_type, bond_type);
memory->destroy_kokkos(k_bond_atom, bond_atom);
memory->destroy_kokkos(k_num_angle, num_angle);
memory->destroy_kokkos(k_angle_type, angle_type);
memory->destroy_kokkos(k_angle_atom1, angle_atom1);
memory->destroy_kokkos(k_angle_atom2, angle_atom2);
memory->destroy_kokkos(k_angle_atom3, angle_atom3);
memory->destroy_kokkos(k_num_dihedral, num_dihedral);
memory->destroy_kokkos(k_dihedral_type, dihedral_type);
memory->destroy_kokkos(k_dihedral_atom1, dihedral_atom1);
memory->destroy_kokkos(k_dihedral_atom2, dihedral_atom2);
memory->destroy_kokkos(k_dihedral_atom3, dihedral_atom3);
memory->destroy_kokkos(k_dihedral_atom4, dihedral_atom4);
memory->destroy_kokkos(k_num_improper, num_improper);
memory->destroy_kokkos(k_improper_type, improper_type);
memory->destroy_kokkos(k_improper_atom1, improper_atom1);
memory->destroy_kokkos(k_improper_atom2, improper_atom2);
memory->destroy_kokkos(k_improper_atom3, improper_atom3);
memory->destroy_kokkos(k_improper_atom4, improper_atom4);
memoryKK->destroy_kokkos(k_nspecial, nspecial);
memoryKK->destroy_kokkos(k_special, special);
memoryKK->destroy_kokkos(k_num_bond, num_bond);
memoryKK->destroy_kokkos(k_bond_type, bond_type);
memoryKK->destroy_kokkos(k_bond_atom, bond_atom);
memoryKK->destroy_kokkos(k_num_angle, num_angle);
memoryKK->destroy_kokkos(k_angle_type, angle_type);
memoryKK->destroy_kokkos(k_angle_atom1, angle_atom1);
memoryKK->destroy_kokkos(k_angle_atom2, angle_atom2);
memoryKK->destroy_kokkos(k_angle_atom3, angle_atom3);
memoryKK->destroy_kokkos(k_num_dihedral, num_dihedral);
memoryKK->destroy_kokkos(k_dihedral_type, dihedral_type);
memoryKK->destroy_kokkos(k_dihedral_atom1, dihedral_atom1);
memoryKK->destroy_kokkos(k_dihedral_atom2, dihedral_atom2);
memoryKK->destroy_kokkos(k_dihedral_atom3, dihedral_atom3);
memoryKK->destroy_kokkos(k_dihedral_atom4, dihedral_atom4);
memoryKK->destroy_kokkos(k_num_improper, num_improper);
memoryKK->destroy_kokkos(k_improper_type, improper_type);
memoryKK->destroy_kokkos(k_improper_atom1, improper_atom1);
memoryKK->destroy_kokkos(k_improper_atom2, improper_atom2);
memoryKK->destroy_kokkos(k_improper_atom3, improper_atom3);
memoryKK->destroy_kokkos(k_improper_atom4, improper_atom4);
// USER-DPD package
memory->destroy_kokkos(k_uCond,uCond);
memory->destroy_kokkos(k_uMech,uMech);
memory->destroy_kokkos(k_uChem,uChem);
memory->destroy_kokkos(k_uCG,uCG);
memory->destroy_kokkos(k_uCGnew,uCGnew);
memory->destroy_kokkos(k_rho,rho);
memory->destroy_kokkos(k_dpdTheta,dpdTheta);
memory->destroy_kokkos(k_duChem,duChem);
memoryKK->destroy_kokkos(k_uCond,uCond);
memoryKK->destroy_kokkos(k_uMech,uMech);
memoryKK->destroy_kokkos(k_uChem,uChem);
memoryKK->destroy_kokkos(k_uCG,uCG);
memoryKK->destroy_kokkos(k_uCGnew,uCGnew);
memoryKK->destroy_kokkos(k_rho,rho);
memoryKK->destroy_kokkos(k_dpdTheta,dpdTheta);
memoryKK->destroy_kokkos(k_duChem,duChem);
memory->destroy_kokkos(k_dvector,dvector);
memoryKK->destroy_kokkos(k_dvector,dvector);
dvector = NULL;
}
@ -232,10 +232,10 @@ void AtomKokkos::sort()
void AtomKokkos::grow(unsigned int mask){
if (mask & SPECIAL_MASK){
memory->destroy_kokkos(k_special, special);
memoryKK->destroy_kokkos(k_special, special);
sync(Device, mask);
modified(Device, mask);
memory->grow_kokkos(k_special,special,nmax,maxspecial,"atom:special");
memoryKK->grow_kokkos(k_special,special,nmax,maxspecial,"atom:special");
avec->grow_reset();
sync(Host, mask);
}
@ -270,7 +270,7 @@ int AtomKokkos::add_custom(const char *name, int flag)
int n = strlen(name) + 1;
dname[index] = new char[n];
strcpy(dname[index],name);
memory->grow_kokkos(k_dvector,dvector,ndvector,nmax,
memoryKK->grow_kokkos(k_dvector,dvector,ndvector,nmax,
"atom:dvector");
}
@ -291,7 +291,7 @@ void AtomKokkos::remove_custom(int flag, int index)
delete [] iname[index];
iname[index] = NULL;
} else {
//memory->destroy_kokkos(dvector);
//memoryKK->destroy_kokkos(dvector);
dvector[index] = NULL;
delete [] dname[index];
dname[index] = NULL;
@ -302,25 +302,25 @@ void AtomKokkos::remove_custom(int flag, int index)
void AtomKokkos::deallocate_topology()
{
memory->destroy_kokkos(k_bond_type, bond_type);
memory->destroy_kokkos(k_bond_atom, bond_atom);
memoryKK->destroy_kokkos(k_bond_type, bond_type);
memoryKK->destroy_kokkos(k_bond_atom, bond_atom);
memory->destroy_kokkos(k_angle_type, angle_type);
memory->destroy_kokkos(k_angle_atom1, angle_atom1);
memory->destroy_kokkos(k_angle_atom2, angle_atom2);
memory->destroy_kokkos(k_angle_atom3, angle_atom3);
memoryKK->destroy_kokkos(k_angle_type, angle_type);
memoryKK->destroy_kokkos(k_angle_atom1, angle_atom1);
memoryKK->destroy_kokkos(k_angle_atom2, angle_atom2);
memoryKK->destroy_kokkos(k_angle_atom3, angle_atom3);
memory->destroy_kokkos(k_dihedral_type, dihedral_type);
memory->destroy_kokkos(k_dihedral_atom1, dihedral_atom1);
memory->destroy_kokkos(k_dihedral_atom2, dihedral_atom2);
memory->destroy_kokkos(k_dihedral_atom3, dihedral_atom3);
memory->destroy_kokkos(k_dihedral_atom4, dihedral_atom4);
memoryKK->destroy_kokkos(k_dihedral_type, dihedral_type);
memoryKK->destroy_kokkos(k_dihedral_atom1, dihedral_atom1);
memoryKK->destroy_kokkos(k_dihedral_atom2, dihedral_atom2);
memoryKK->destroy_kokkos(k_dihedral_atom3, dihedral_atom3);
memoryKK->destroy_kokkos(k_dihedral_atom4, dihedral_atom4);
memory->destroy_kokkos(k_improper_type, improper_type);
memory->destroy_kokkos(k_improper_atom1, improper_atom1);
memory->destroy_kokkos(k_improper_atom2, improper_atom2);
memory->destroy_kokkos(k_improper_atom3, improper_atom3);
memory->destroy_kokkos(k_improper_atom4, improper_atom4);
memoryKK->destroy_kokkos(k_improper_type, improper_type);
memoryKK->destroy_kokkos(k_improper_atom1, improper_atom1);
memoryKK->destroy_kokkos(k_improper_atom2, improper_atom2);
memoryKK->destroy_kokkos(k_improper_atom3, improper_atom3);
memoryKK->destroy_kokkos(k_improper_atom4, improper_atom4);
}
/* ----------------------------------------------------------------------