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Fixing issue with pressure in pair_hybrid_kokkos

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This commit is contained in:
Stan Moore
2017-01-17 13:28:55 -07:00
parent 91d68e26ef
commit 8b4130c0cb
2 changed files with 17 additions and 1 deletions
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9
src/KOKKOS/pair_hybrid_kokkos.cpp
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@ -148,5 +148,12 @@ void PairHybridKokkos::compute(int eflag, int vflag)
delete [] saved_special;
if (vflag_fdotr) virial_fdotr_compute();
// perform virial_fdotr on device
atomKK->sync(Device,X_MASK|F_MASK);
x = atomKK->k_x.view<LMPDeviceType>();
f = atomKK->k_f.view<LMPDeviceType>();
if (vflag_fdotr)
pair_virial_fdotr_compute(this);
}

9
src/KOKKOS/pair_hybrid_kokkos.h
View File

@ -22,6 +22,8 @@ PairStyle(hybrid/kk,PairHybridKokkos)
#include <stdio.h>
#include "pair_hybrid.h"
#include "pair_kokkos.h"
#include "kokkos_type.h"
namespace LAMMPS_NS {
@ -33,9 +35,16 @@ class PairHybridKokkos : public PairHybrid {
friend class Respa;
friend class Info;
public:
typedef LMPDeviceType device_type;
PairHybridKokkos(class LAMMPS *);
virtual ~PairHybridKokkos();
void compute(int, int);
private:
DAT::t_x_array_randomread x;
DAT::t_f_array f;
friend void pair_virial_fdotr_compute<PairHybridKokkos>(PairHybridKokkos*);
};
}