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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-07-01 23:27:26 +00:00
parent 8366b35459
commit 9656958169
245 changed files with 4890 additions and 4832 deletions
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36
lib/gpu/lal_table.h
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@ -9,7 +9,7 @@
This file is part of the LAMMPS Accelerator Library (LAMMPS_AL)
__________________________________________________________________________
begin :
begin :
email : nguyentd@ornl.gov
***************************************************************************/
@ -24,13 +24,13 @@ template <class numtyp, class acctyp>
class Table : public BaseAtomic<numtyp, acctyp> {
public:
Table();
~Table();
~Table();
/// Clear any previous data and set up for a new LAMMPS run
/** \param max_nbors initial number of rows in the neighbor matrix
* \param cell_size cutoff + skin
* \param gpu_split fraction of particles handled by device
*
*
* Returns:
* - 0 if successfull
* - -1 if fix gpu not found
@ -38,10 +38,10 @@ class Table : public BaseAtomic<numtyp, acctyp> {
* - -4 if the GPU library was not compiled for GPU
* - -5 Double precision is not supported on card **/
int init(const int ntypes, double** cutsq, double ***host_table_coeffs,
double **host_table_data,
double **host_table_data,
double *host_special_lj,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const double cell_size,
const double gpu_split, FILE *screen,
int tabstyle, int ntables, int tablength);
@ -54,42 +54,42 @@ class Table : public BaseAtomic<numtyp, acctyp> {
/// Total host memory used by library for pair style
double host_memory_usage() const;
// ------------------------- DEVICE KERNELS -------------------------
UCL_Kernel k_pair_linear, k_pair_linear_fast;
UCL_Kernel k_pair_spline, k_pair_spline_fast;
UCL_Kernel k_pair_bitmap, k_pair_bitmap_fast;
// --------------------------- TYPE DATA --------------------------
UCL_D_Vec<int> tabindex, nshiftbits, nmask;
/// coeff2.x = innersq, coeff2.y = invdelta, coeff2.z = deltasq6,
/// coeff2.x = innersq, coeff2.y = invdelta, coeff2.z = deltasq6,
UCL_D_Vec<numtyp4> coeff2;
/// coeff3.x = rsq, coeff3.y = e, coeff3.z = f
UCL_D_Vec<numtyp4> coeff3;
/// coeff4.x = de, coeff4.y = df
UCL_D_Vec<numtyp4> coeff4;
UCL_D_Vec<numtyp> cutsq;
/// Special LJ values
UCL_D_Vec<numtyp> sp_lj;
/// If atom type constants fit in shared memory, use fast kernels
bool shared_types;
/// Number of atom types
/// Number of atom types
int _lj_types;
/// Table style, length and number of tables
int _tabstyle,_tablength,_ntables;
private:
bool _allocated, _compiled_styles;
void loop(const bool _eflag, const bool _vflag);
};