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Merge pull request #743 from stanmoore1/kk_yukawa_fix 

Fix compile error in pair_yukawa_kokkos
This commit is contained in:
Steve Plimpton 2017-12-07 10:31:04 -07:00 committed by GitHub
parent d7e5d60f90 3e99d1a83a
commit d029cb9002
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GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 9 additions and 9 deletions
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2
doc/src/Section_commands.txt
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@ -1023,7 +1023,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"tri/lj"_pair_tri_lj.html,
"vashishta (ko)"_pair_vashishta.html,
"vashishta/table (o)"_pair_vashishta.html,
"yukawa (go)"_pair_yukawa.html,
"yukawa (gok)"_pair_yukawa.html,
"yukawa/colloid (go)"_pair_yukawa_colloid.html,
"zbl (go)"_pair_zbl.html :tb(c=4,ea=c)

16
src/KOKKOS/pair_yukawa_kokkos.cpp
View File

@ -28,7 +28,7 @@
#include "integrate.h"
#include "respa.h"
#include "math_const.h"
#include "memory.h"
#include "memory_kokkos.h"
#include "error.h"
#include "atom_masks.h"
@ -58,8 +58,8 @@ template<class DeviceType>
PairYukawaKokkos<DeviceType>::~PairYukawaKokkos()
{
if (allocated) {
memory->destroy_kokkos(k_eatom,eatom);
memory->destroy_kokkos(k_vatom,vatom);
memoryKK->destroy_kokkos(k_eatom,eatom);
memoryKK->destroy_kokkos(k_vatom,vatom);
k_cutsq = DAT::tdual_ffloat_2d();
memory->sfree(cutsq);
eatom = NULL;
@ -90,7 +90,7 @@ void PairYukawaKokkos<DeviceType>::allocate()
int n = atom->ntypes;
memory->destroy(cutsq);
memory->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq");
memoryKK->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq");
d_cutsq = k_cutsq.template view<DeviceType>();
k_params = Kokkos::DualView<params_yukawa**,
Kokkos::LayoutRight,DeviceType>(
@ -183,13 +183,13 @@ void PairYukawaKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
// reallocate per-atom arrays if necessary
if (eflag_atom) {
memory->destroy_kokkos(k_eatom,eatom);
memory->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom");
memoryKK->destroy_kokkos(k_eatom,eatom);
memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom");
d_eatom = k_eatom.view<DeviceType>();
}
if (vflag_atom) {
memory->destroy_kokkos(k_vatom,vatom);
memory->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom");
memoryKK->destroy_kokkos(k_vatom,vatom);
memoryKK->create_kokkos(k_vatom,vatom,maxvatom,6,"pair:vatom");
d_vatom = k_vatom.view<DeviceType>();
}