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mgpt_linalg.h
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rLAMMPS lammps
mgpt_linalg.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
This file is part of the MGPT implementation. See further comments
in pair_mgpt.cpp and pair_mgpt.h.
------------------------------------------------------------------------- */
#ifndef MGPT_LINALG__
#define MGPT_LINALG__
#ifdef __bg__
#ifdef __bgq__
#ifdef __VECTOR4DOUBLE__
#define IBM_BGQ_SIMD
#endif
#else
#define IBM_BG_SIMD
#endif
#elif defined(__SSE3__)
#define x86_SIMD
#endif
#define restrict __restrict__
#if defined(IBM_BG_SIMD) || defined(IBM_BGQ_SIMD)
#define const
#endif
typedef
void
(
*
trmul_fun
)
(
const
double
*
restrict
A
,
const
double
*
restrict
B
,
double
*
restrict
C
);
typedef
void
(
*
trtrace3_fun
)
(
const
double
*
restrict
A
,
const
double
*
restrict
B1
,
double
*
restrict
t1
,
const
double
*
restrict
B2
,
double
*
restrict
t2
,
const
double
*
restrict
B3
,
double
*
restrict
t3
);
#if defined(IBM_BG_SIMD) || defined(IBM_BGQ_SIMD)
#undef const
#endif
class
mgpt_linalg
{
public:
static
int
matrix_size
;
trmul_fun
tr_mul
;
trtrace3_fun
tr_trace
;
int
single
;
const
char
*
msg
;
mgpt_linalg
();
mgpt_linalg
(
int
n
,
int
single_precision
);
};
#undef restrict
#endif
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