From 04e401ae4ba7c7e0650789502bf2e2779e60d74e Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 31 May 2016 16:20:32 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/GPU/fix_gpu.cpp | 3 ---
src/USER-OMP/fix_omp.cpp | 19 -------------------
src/atom.cpp | 27 ++-------------------------
src/atom_vec.cpp | 4 +---
src/atom_vec.h | 2 --
src/comm_tiled.cpp | 4 ----
src/info.cpp | 5 +----
src/input.cpp | 9 +--------
src/lammps.cpp | 23 +++++++----------------
src/lammps.h | 1 -
src/output.cpp | 7 -------
src/pair.cpp | 5 +----
src/update.cpp | 10 ----------
13 files changed, 13 insertions(+), 106 deletions(-)
diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp
index ddd82b30b5..22ec8dde3b 100644
--- a/src/GPU/fix_gpu.cpp
+++ b/src/GPU/fix_gpu.cpp
@@ -80,9 +80,6 @@ FixGPU::FixGPU(LAMMPS *lmp, int narg, char **arg) :
{
if (lmp->citeme) lmp->citeme->add(cite_gpu_package);
- if (lmp->cuda)
- error->all(FLERR,"Cannot use GPU package with USER-CUDA package enabled");
-
if (narg < 4) error->all(FLERR,"Illegal package gpu command");
int ngpu = atoi(arg[3]);
diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp
index cd90ef6e15..e3adb6c268 100644
--- a/src/USER-OMP/fix_omp.cpp
+++ b/src/USER-OMP/fix_omp.cpp
@@ -45,15 +45,8 @@
#include "suffix.h"
-#if defined(LMP_USER_CUDA)
-#include "cuda_modify_flags.h"
-#endif
-
using namespace LAMMPS_NS;
using namespace FixConst;
-#if defined(LMP_USER_CUDA)
-using namespace FixConstCuda;
-#endif
static int get_tid()
{
@@ -157,18 +150,6 @@ FixOMP::~FixOMP()
int FixOMP::setmask()
{
- // compatibility with USER-CUDA
- // our fix doesn't need any data transfer.
-#if defined(LMP_USER_CUDA)
- if (lmp->cuda) {
- int mask = 0;
- mask |= PRE_FORCE_CUDA;
- mask |= PRE_FORCE_RESPA;
- mask |= MIN_PRE_FORCE;
- return mask;
- }
-#endif
-
int mask = 0;
mask |= PRE_FORCE;
mask |= PRE_FORCE_RESPA;
diff --git a/src/atom.cpp b/src/atom.cpp
index e96e5e2050..0793caad2d 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -32,7 +32,6 @@
#include "domain.h"
#include "group.h"
#include "molecule.h"
-#include "accelerator_cuda.h"
#include "atom_masks.h"
#include "math_const.h"
#include "memory.h"
@@ -44,7 +43,6 @@ using namespace MathConst;
#define DELTA 1
#define DELTA_MEMSTR 1024
#define EPSILON 1.0e-6
-#define CUDA_CHUNK 3000
enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
@@ -1716,10 +1714,6 @@ void Atom::sort()
nextsort = (update->ntimestep/sortfreq)*sortfreq + sortfreq;
- // download data from GPU if necessary
-
- if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
-
// re-setup sort bins if needed
if (domain->box_change) setup_sort_bins();
@@ -1795,10 +1789,6 @@ void Atom::sort()
current[empty] = permute[empty];
}
- // upload data back to GPU if necessary
-
- if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->uploadAll();
-
// sanity check that current = permute
//int flag = 0;
@@ -1817,25 +1807,12 @@ void Atom::setup_sort_bins()
{
// binsize:
// user setting if explicitly set
- // 1/2 of neighbor cutoff for non-CUDA
- // CUDA_CHUNK atoms/proc for CUDA
+ // default = 1/2 of neighbor cutoff
// check if neighbor cutoff = 0.0
double binsize;
if (userbinsize > 0.0) binsize = userbinsize;
- else if (!lmp->cuda) binsize = 0.5 * neighbor->cutneighmax;
- else {
- if (domain->dimension == 3) {
- double vol = (domain->boxhi[0]-domain->boxlo[0]) *
- (domain->boxhi[1]-domain->boxlo[1]) *
- (domain->boxhi[2]-domain->boxlo[2]);
- binsize = pow(1.0*CUDA_CHUNK/natoms*vol,1.0/3.0);
- } else {
- double area = (domain->boxhi[0]-domain->boxlo[0]) *
- (domain->boxhi[1]-domain->boxlo[1]);
- binsize = pow(1.0*CUDA_CHUNK/natoms*area,1.0/2.0);
- }
- }
+ else binsize = 0.5 * neighbor->cutneighmax;
if (binsize == 0.0) error->all(FLERR,"Atom sorting has bin size = 0.0");
double bininv = 1.0/binsize;
diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp
index c6f54ec19e..a8fa982c00 100644
--- a/src/atom_vec.cpp
+++ b/src/atom_vec.cpp
@@ -33,7 +33,7 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
mass_type = dipole_type = 0;
forceclearflag = 0;
size_data_bonus = 0;
- cudable = kokkosable = 0;
+ kokkosable = 0;
nargcopy = 0;
argcopy = NULL;
@@ -81,8 +81,6 @@ void AtomVec::init()
deform_groupbit = domain->deform_groupbit;
h_rate = domain->h_rate;
- if (lmp->cuda != NULL && !cudable)
- error->all(FLERR,"USER-CUDA package requires a cuda enabled atom_style");
if (lmp->kokkos != NULL && !kokkosable)
error->all(FLERR,"KOKKOS package requires a kokkos enabled atom_style");
}
diff --git a/src/atom_vec.h b/src/atom_vec.h
index 66bfd14608..267cc599d1 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -43,9 +43,7 @@ class AtomVec : protected Pointers {
class Molecule **onemols; // list of molecules for style template
int nset; // # of molecules in list
- int cudable; // 1 if atom style is CUDA-enabled
int kokkosable; // 1 if atom style is KOKKOS-enabled
- int *maxsend; // CUDA-specific variable
int nargcopy; // copy of command-line args for atom_style command
char **argcopy; // used when AtomVec is realloced (restart,replicate)
diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp
index 98f406b293..058de915ba 100644
--- a/src/comm_tiled.cpp
+++ b/src/comm_tiled.cpp
@@ -45,8 +45,6 @@ enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
CommTiled::CommTiled(LAMMPS *lmp) : Comm(lmp)
{
- if (lmp->cuda)
- error->all(FLERR,"USER-CUDA package does not yet support comm_style tiled");
if (lmp->kokkos)
error->all(FLERR,"KOKKOS package does not yet support comm_style tiled");
@@ -65,8 +63,6 @@ CommTiled::CommTiled(LAMMPS *lmp) : Comm(lmp)
//
CommTiled::CommTiled(LAMMPS *lmp, Comm *oldcomm) : Comm(*oldcomm)
{
- if (lmp->cuda)
- error->all(FLERR,"USER-CUDA package does not yet support comm_style tiled");
if (lmp->kokkos)
error->all(FLERR,"KOKKOS package does not yet support comm_style tiled");
diff --git a/src/info.cpp b/src/info.cpp
index 9db3dd01de..016a4c6526 100644
--- a/src/info.cpp
+++ b/src/info.cpp
@@ -17,7 +17,6 @@
#include <string.h>
#include "info.h"
-#include "accelerator_cuda.h"
#include "accelerator_kokkos.h"
#include "atom.h"
#include "comm.h"
@@ -476,9 +475,7 @@ bool Info::is_active(const char *category, const char *name)
const int len = strlen(name);
if (strcmp(category,"package") == 0) {
- if (strcmp(name,"cuda") == 0) {
- return (lmp->cuda && lmp->cuda->cuda_exists) ? true : false;
- } else if (strcmp(name,"gpu") == 0) {
+ if (strcmp(name,"gpu") == 0) {
return (modify->find_fix("package_gpu") >= 0) ? true : false;
} else if (strcmp(name,"intel") == 0) {
return (modify->find_fix("package_intel") >= 0) ? true : false;
diff --git a/src/input.cpp b/src/input.cpp
index bcb64effe9..7983f81532 100644
--- a/src/input.cpp
+++ b/src/input.cpp
@@ -46,7 +46,6 @@
#include "special.h"
#include "timer.h"
#include "variable.h"
-#include "accelerator_cuda.h"
#include "accelerator_kokkos.h"
#include "error.h"
#include "memory.h"
@@ -1567,13 +1566,7 @@ void Input::package()
// same checks for packages existing as in LAMMPS::post_create()
// since can be invoked here by package command in input script
- if (strcmp(arg[0],"cuda") == 0) {
- if (lmp->cuda == NULL || lmp->cuda->cuda_exists == 0)
- error->all(FLERR,
- "Package cuda command without USER-CUDA package enabled");
- lmp->cuda->accelerator(narg-1,&arg[1]);
-
- } else if (strcmp(arg[0],"gpu") == 0) {
+ if (strcmp(arg[0],"gpu") == 0) {
if (!modify->check_package("GPU"))
error->all(FLERR,"Package gpu command without GPU package installed");
diff --git a/src/lammps.cpp b/src/lammps.cpp
index af9950073f..326a3229cd 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -581,7 +581,6 @@ LAMMPS::~LAMMPS()
if (world != universe->uworld) MPI_Comm_free(&world);
- delete cuda;
delete kokkos;
delete [] suffix;
delete [] suffix2;
@@ -603,16 +602,13 @@ void LAMMPS::create()
// Comm class must be created before Atom class
// so that nthreads is defined when create_avec invokes grow()
- if (cuda) comm = new CommCuda(this);
- else if (kokkos) comm = new CommKokkos(this);
+ if (kokkos) comm = new CommKokkos(this);
else comm = new CommBrick(this);
- if (cuda) neighbor = new NeighborCuda(this);
- else if (kokkos) neighbor = new NeighborKokkos(this);
+ if (kokkos) neighbor = new NeighborKokkos(this);
else neighbor = new Neighbor(this);
- if (cuda) domain = new DomainCuda(this);
- else if (kokkos) domain = new DomainKokkos(this);
+ if (kokkos) domain = new DomainKokkos(this);
#ifdef LMP_USER_OMP
else domain = new DomainOMP(this);
#else
@@ -630,8 +626,7 @@ void LAMMPS::create()
group = new Group(this);
force = new Force(this); // must be after group, to create temperature
- if (cuda) modify = new ModifyCuda(this);
- else if (kokkos) modify = new ModifyKokkos(this);
+ if (kokkos) modify = new ModifyKokkos(this);
else modify = new Modify(this);
output = new Output(this); // must be after group, so "all" exists
@@ -651,19 +646,16 @@ void LAMMPS::create()
void LAMMPS::post_create()
{
- // default package commands triggered by "-c on" and "-k on"
+ // default package command triggered by "-k on"
- if (cuda && cuda->cuda_exists) input->one("package cuda 1");
if (kokkos && kokkos->kokkos_exists) input->one("package kokkos");
// suffix will always be set if suffix_enable = 1
- // check that USER-CUDA and KOKKOS package classes were instantiated
+ // check that KOKKOS package classes were instantiated
// check that GPU, INTEL, USER-OMP fixes were compiled with LAMMPS
if (!suffix_enable) return;
- if (strcmp(suffix,"cuda") == 0 && (cuda == NULL || cuda->cuda_exists == 0))
- error->all(FLERR,"Using suffix cuda without USER-CUDA package enabled");
if (strcmp(suffix,"gpu") == 0 && !modify->check_package("GPU"))
error->all(FLERR,"Using suffix gpu without GPU package installed");
if (strcmp(suffix,"intel") == 0 && !modify->check_package("INTEL"))
@@ -771,7 +763,6 @@ void LAMMPS::help()
{
fprintf(screen,
"\nCommand line options:\n\n"
- "-cuda on/off : turn CUDA mode on or off (-c)\n"
"-echo none/screen/log/both : echoing of input script (-e)\n"
"-help : print this help message (-h)\n"
"-in filename : read input from file, not stdin (-i)\n"
@@ -785,7 +776,7 @@ void LAMMPS::help()
"-restart rfile dfile ... : convert restart to data file (-r)\n"
"-reorder topology-specs : processor reordering (-r)\n"
"-screen none/filename : where to send screen output (-sc)\n"
- "-suffix cuda/gpu/opt/omp : style suffix to apply (-sf)\n"
+ "-suffix gpu/intel/opt/omp : style suffix to apply (-sf)\n"
"-var varname value : set index style variable (-v)\n\n");
fprintf(screen,"Style options compiled with this executable\n\n");
diff --git a/src/lammps.h b/src/lammps.h
index 88449a4d88..3978f99111 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -50,7 +50,6 @@ class LAMMPS {
int num_package; // number of cmdline package commands
int cite_enable; // 1 if generating log.cite, 0 if disabled
- class Cuda *cuda; // CUDA accelerator class
class KokkosLMP *kokkos; // KOKKOS accelerator class
class AtomKokkos *atomKK; // KOKKOS version of Atom class
diff --git a/src/output.cpp b/src/output.cpp
index db667e8694..073171735f 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -30,7 +30,6 @@
#include "force.h"
#include "dump.h"
#include "write_restart.h"
-#include "accelerator_cuda.h"
#include "memory.h"
#include "error.h"
@@ -290,11 +289,8 @@ void Output::write(bigint ntimestep)
{
// next_dump does not force output on last step of run
// wrap dumps that invoke computes or eval of variable with clear/add
- // download data from GPU if necessary
if (next_dump_any == ntimestep) {
- if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
-
for (int idump = 0; idump < ndump; idump++) {
if (next_dump[idump] == ntimestep) {
if (dump[idump]->clearstep || every_dump[idump] == 0)
@@ -321,12 +317,9 @@ void Output::write(bigint ntimestep)
// next_restart does not force output on last step of run
// for toggle = 0, replace "*" with current timestep in restart filename
- // download data from GPU if necessary
// eval of variable may invoke computes so wrap with clear/add
if (next_restart == ntimestep) {
- if (lmp->cuda && !lmp->cuda->oncpu) lmp->cuda->downloadAll();
-
if (next_restart_single == ntimestep) {
char *file = new char[strlen(restart1) + 16];
char *ptr = strchr(restart1,'*');
diff --git a/src/pair.cpp b/src/pair.cpp
index c169177ea9..a5e6d13451 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -34,7 +34,6 @@
#include "update.h"
#include "modify.h"
#include "compute.h"
-#include "accelerator_cuda.h"
#include "suffix.h"
#include "atom_masks.h"
#include "memory.h"
@@ -99,7 +98,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
num_tally_compute = 0;
list_tally_compute = NULL;
- // CUDA and KOKKOS per-fix data masks
+ // KOKKOS per-fix data masks
datamask = ALL_MASK;
datamask_ext = ALL_MASK;
@@ -810,8 +809,6 @@ void Pair::ev_setup(int eflag, int vflag)
if (vflag_atom == 0) vflag_either = 0;
if (vflag_either == 0 && eflag_either == 0) evflag = 0;
} else vflag_fdotr = 0;
-
- if (lmp->cuda) lmp->cuda->evsetup_eatom_vatom(eflag_atom,vflag_atom);
}
/* ----------------------------------------------------------------------
diff --git a/src/update.cpp b/src/update.cpp
index f53acbed3a..8bb5bca487 100644
--- a/src/update.cpp
+++ b/src/update.cpp
@@ -85,16 +85,6 @@ Update::~Update()
void Update::init()
{
- // if USER-CUDA mode is enabled:
- // integrate/minimize style must be CUDA variant
-
- if (whichflag == 1 && lmp->cuda)
- if (strstr(integrate_style,"cuda") == NULL)
- error->all(FLERR,"USER-CUDA mode requires CUDA variant of run style");
- if (whichflag == 2 && lmp->cuda)
- if (strstr(minimize_style,"cuda") == NULL)
- error->all(FLERR,"USER-CUDA mode requires CUDA variant of min style");
-
// init the appropriate integrate and/or minimize class
// if neither (e.g. from write_restart) then just return
--
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