add suffix_flag settings to GPU package styles

This commit is contained in:
Axel Kohlmeyer
2020-01-10 15:29:53 -05:00
parent 7b8498fab6
commit f073a64549
56 changed files with 112 additions and 1 deletions

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@ -35,6 +35,7 @@
#include "domain.h"
#include "gpu_extra.h"
#include "math_special.h"
#include "suffix.h"
using namespace LAMMPS_NS;
using namespace MathSpecial;
@ -68,6 +69,7 @@ PairBeckGPU::PairBeckGPU(LAMMPS *lmp) : PairBeck(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -36,6 +36,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -90,6 +91,7 @@ PairBornCoulLongCSGPU::PairBornCoulLongCSGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -36,6 +36,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -85,6 +86,7 @@ PairBornCoulLongGPU::PairBornCoulLongGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -78,6 +79,7 @@ PairBornCoulWolfCSGPU::PairBornCoulWolfCSGPU(LAMMPS *lmp) : PairBornCoulWolfCS(l
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -76,6 +77,7 @@ PairBornCoulWolfGPU::PairBornCoulWolfGPU(LAMMPS *lmp) : PairBornCoulWolf(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -71,6 +72,7 @@ PairBornGPU::PairBornGPU(LAMMPS *lmp) : PairBorn(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +73,7 @@ PairBuckCoulCutGPU::PairBuckCoulCutGPU(LAMMPS *lmp) : PairBuckCoulCut(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -81,6 +82,7 @@ PairBuckCoulLongGPU::PairBuckCoulLongGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -69,6 +70,7 @@ PairBuckGPU::PairBuckGPU(LAMMPS *lmp) : PairBuck(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -69,6 +70,7 @@ PairColloidGPU::PairColloidGPU(LAMMPS *lmp) : PairColloid(lmp), gpu_mode(GPU_FOR
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -69,6 +70,7 @@ PairCoulCutGPU::PairCoulCutGPU(LAMMPS *lmp) : PairCoulCut(lmp), gpu_mode(GPU_FOR
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -70,6 +71,7 @@ PairCoulDebyeGPU::PairCoulDebyeGPU(LAMMPS *lmp) :
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
#define MY_PIS 1.77245385090551602729
#define EWALD_F 1.12837917
@ -81,6 +82,7 @@ PairCoulDSFGPU::PairCoulDSFGPU(LAMMPS *lmp) : PairCoulDSF(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -83,6 +84,7 @@ PairCoulLongCSGPU::PairCoulLongCSGPU(LAMMPS *lmp) :
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -78,6 +79,7 @@ PairCoulLongGPU::PairCoulLongGPU(LAMMPS *lmp) :
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -209,6 +210,7 @@ PairDPDGPU::PairDPDGPU(LAMMPS *lmp) : PairDPD(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -212,6 +213,7 @@ PairDPDTstatGPU::PairDPDTstatGPU(LAMMPS *lmp) : PairDPDTstat(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -30,7 +30,7 @@
#include "gpu_extra.h"
#include "domain.h"
#include "utils.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +72,7 @@ PairEAMAlloyGPU::PairEAMAlloyGPU(LAMMPS *lmp) : PairEAM(lmp), gpu_mode(GPU_FORCE
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -29,6 +29,7 @@
#include "neigh_request.h"
#include "gpu_extra.h"
#include "domain.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -70,6 +71,7 @@ PairEAMFSGPU::PairEAMFSGPU(LAMMPS *lmp) : PairEAM(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -30,6 +30,7 @@
#include "error.h"
#include "neigh_request.h"
#include "gpu_extra.h"
#include "suffix.h"
#define MAXLINE 1024
@ -71,6 +72,7 @@ PairEAMGPU::PairEAMGPU(LAMMPS *lmp) : PairEAM(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -66,6 +67,7 @@ PairGaussGPU::PairGaussGPU(LAMMPS *lmp) : PairGauss(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -36,6 +36,7 @@
#include "domain.h"
#include "update.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -74,6 +75,7 @@ PairGayBerneGPU::PairGayBerneGPU(LAMMPS *lmp) : PairGayBerne(lmp),
quat_nmax = 0;
reinitflag = 0;
quat = NULL;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -66,6 +67,7 @@ PairLJ96CutGPU::PairLJ96CutGPU(LAMMPS *lmp) : PairLJ96Cut(lmp), gpu_mode(GPU_FOR
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -83,6 +84,7 @@ PairLJCharmmCoulLongGPU::PairLJCharmmCoulLongGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -80,6 +81,7 @@ PairLJClass2CoulLongGPU::PairLJClass2CoulLongGPU(LAMMPS *lmp) :
{
cpu_time = 0.0;
reinitflag = 0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -65,6 +66,7 @@ PairLJClass2GPU::PairLJClass2GPU(LAMMPS *lmp) : PairLJClass2(lmp), gpu_mode(GPU_
{
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
using namespace PairLJCubicConstants;
@ -70,6 +71,7 @@ PairLJCubicGPU::PairLJCubicGPU(LAMMPS *lmp) : PairLJCubic(lmp),
respa_enable = 0;
cpu_time = 0.0;
reinitflag = 0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -71,6 +72,7 @@ PairLJCutCoulCutGPU::PairLJCutCoulCutGPU(LAMMPS *lmp) : PairLJCutCoulCut(lmp), g
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -73,6 +74,7 @@ PairLJCutCoulDebyeGPU::PairLJCutCoulDebyeGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
#define MY_PIS 1.77245385090551602729
#define EWALD_F 1.12837917
@ -82,6 +83,7 @@ PairLJCutCoulDSFGPU::PairLJCutCoulDSFGPU(LAMMPS *lmp) : PairLJCutCoulDSF(lmp), g
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -83,6 +84,7 @@ PairLJCutCoulLongGPU::PairLJCutCoulLongGPU(LAMMPS *lmp) :
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +73,7 @@ PairLJCutCoulMSMGPU::PairLJCutCoulMSMGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -73,6 +74,7 @@ PairLJCutDipoleCutGPU::PairLJCutDipoleCutGPU(LAMMPS *lmp) : PairLJCutDipoleCut(l
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -36,6 +36,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -84,6 +85,7 @@ PairLJCutDipoleLongGPU::PairLJCutDipoleLongGPU(LAMMPS *lmp) : PairLJCutDipoleLon
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -70,6 +71,7 @@ PairLJCutGPU::PairLJCutGPU(LAMMPS *lmp) : PairLJCut(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -37,6 +37,7 @@
#include "angle.h"
#include "bond.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -91,6 +92,7 @@ PairLJCutTIP4PLongGPU::PairLJCutTIP4PLongGPU(LAMMPS *lmp)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -83,6 +84,7 @@ PairLJExpandCoulLongGPU::PairLJExpandCoulLongGPU(LAMMPS *lmp) :
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -69,6 +70,7 @@ PairLJExpandGPU::PairLJExpandGPU(LAMMPS *lmp) : PairLJExpand(lmp), gpu_mode(GPU_
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -71,6 +72,7 @@ PairLJGromacsGPU::PairLJGromacsGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "kspace.h"
#include "gpu_extra.h"
#include "suffix.h"
#define EWALD_F 1.12837917
#define EWALD_P 0.3275911
@ -86,6 +87,7 @@ PairLJSDKCoulLongGPU::PairLJSDKCoulLongGPU(LAMMPS *lmp) :
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -71,6 +72,7 @@ PairLJSDKGPU::PairLJSDKGPU(LAMMPS *lmp) : PairLJSDK(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +73,7 @@ PairLJSFDipoleSFGPU::PairLJSFDipoleSFGPU(LAMMPS *lmp) : PairLJSFDipoleSF(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -67,6 +68,7 @@ PairMIECutGPU::PairMIECutGPU(LAMMPS *lmp) : PairMIECut(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -65,6 +66,7 @@ PairMorseGPU::PairMorseGPU(LAMMPS *lmp) : PairMorse(lmp), gpu_mode(GPU_FORCE)
{
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -36,6 +36,7 @@
#include "domain.h"
#include "update.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -76,6 +77,7 @@ PairRESquaredGPU::PairRESquaredGPU(LAMMPS *lmp) : PairRESquared(lmp),
error->all(FLERR,"Pair resquared/gpu requires atom style ellipsoid");
quat_nmax = 0;
quat = NULL;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "domain.h"
#include "gpu_extra.h"
#include "math_const.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -70,6 +71,7 @@ PairSoftGPU::PairSoftGPU(LAMMPS *lmp) : PairSoft(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -32,6 +32,7 @@
#include "error.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +73,7 @@ PairSWGPU::PairSWGPU(LAMMPS *lmp) : PairSW(lmp), gpu_mode(GPU_FORCE)
{
cpu_time = 0.0;
reinitflag = 0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
cutghost = NULL;

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
#define LOOKUP 0
#define LINEAR 1
@ -73,6 +74,7 @@ PairTableGPU::PairTableGPU(LAMMPS *lmp) : PairTable(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -32,6 +32,7 @@
#include "error.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -76,6 +77,7 @@ extern double lmp_gpu_forces(double **f, double **tor, double *eatom,
PairTersoffGPU::PairTersoffGPU(LAMMPS *lmp) : PairTersoff(lmp), gpu_mode(GPU_FORCE)
{
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
cutghost = NULL;

View File

@ -32,6 +32,7 @@
#include "error.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -69,6 +70,7 @@ PairTersoffMODGPU::PairTersoffMODGPU(LAMMPS *lmp) : PairTersoffMOD(lmp),
gpu_mode(GPU_FORCE)
{
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
cutghost = NULL;

View File

@ -32,6 +32,7 @@
#include "error.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -77,6 +78,7 @@ PairTersoffZBLGPU::PairTersoffZBLGPU(LAMMPS *lmp) : PairTersoffZBL(lmp),
gpu_mode(GPU_FORCE)
{
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
cutghost = NULL;

View File

@ -36,6 +36,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -72,6 +73,7 @@ PairUFMGPU::PairUFMGPU(LAMMPS *lmp) : PairUFM(lmp), gpu_mode(GPU_FORCE)
{
respa_enable = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -32,6 +32,7 @@
#include "error.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -73,6 +74,7 @@ PairVashishtaGPU::PairVashishtaGPU(LAMMPS *lmp) : PairVashishta(lmp), gpu_mode(G
cpu_time = 0.0;
reinitflag = 0;
gpu_allocated = false;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
cutghost = NULL;

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -68,6 +69,7 @@ PairYukawaColloidGPU::PairYukawaColloidGPU(LAMMPS *lmp) : PairYukawaColloid(lmp)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -34,6 +34,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -67,6 +68,7 @@ PairYukawaGPU::PairYukawaGPU(LAMMPS *lmp) : PairYukawa(lmp),
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}

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@ -35,6 +35,7 @@
#include "update.h"
#include "domain.h"
#include "gpu_extra.h"
#include "suffix.h"
using namespace LAMMPS_NS;
@ -70,6 +71,7 @@ PairZBLGPU::PairZBLGPU(LAMMPS *lmp) : PairZBL(lmp), gpu_mode(GPU_FORCE)
respa_enable = 0;
reinitflag = 0;
cpu_time = 0.0;
suffix_flag |= Suffix::GPU;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
}