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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-05-31 16:20:32 +00:00
parent 5b94aa3ae8
commit 04e401ae4b
13 changed files with 13 additions and 106 deletions
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23
src/lammps.cpp
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@ -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");