/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2012,2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* the research papers on the package. Check out http://www.gromacs.org.
*/
-/* The macros in this file are intended to be used for writing
- * architecture-independent SIMD intrinsics code.
- * To support a new architecture, adding macros here should be (nearly)
- * all that is needed.
- */
-
-/* This file contains vector operation functions using SIMD intrinsics.
- * gromacs/simd/macros.h should be included before including this file.
+/*! \libinternal \file
+ *
+ * \brief SIMD operations corresponding to Gromacs rvec datatypes.
+ *
+ * \author Erik Lindahl <erik.lindahl@scilifelab.se>
+ *
+ * \inlibraryapi
+ * \ingroup module_simd
*/
#ifndef GMX_SIMD_VECTOR_OPERATIONS_H
#define GMX_SIMD_VECTOR_OPERATIONS_H
-#ifndef GMX_SIMD_MACROS_H
-#error "gromacs/simd/macros.h was not included before including gromacs/simd/vector_operations.h"
-#endif
+#include "gromacs/simd/simd.h"
+
+#include "config.h"
+
+/*! \cond libapi */
+/*! \addtogroup module_simd */
+/*! \{ */
+
+#if (defined GMX_SIMD_HAVE_FLOAT) || (defined DOXYGEN)
+/*! \brief SIMD float inner product of multiple float vectors.
+ *
+ * For normal usage you should always call the real-precision \ref gmx_simd_iprod_r.
+ *
+ * \param ax X components of first vectors
+ * \param ay Y components of first vectors
+ * \param az Z components of first vectors
+ * \param bx X components of second vectors
+ * \param by Y components of second vectors
+ * \param bz Z components of second vectors
+ *
+ * \return Element i will be res[i] = ax[i]*bx[i]+ay[i]*by[i]+az[i]*bz[i].
+ *
+ * \note The SIMD part is that we calculate many scalar products in one call.
+ */
+static gmx_inline gmx_simd_float_t gmx_simdcall
+gmx_simd_iprod_f(gmx_simd_float_t ax, gmx_simd_float_t ay, gmx_simd_float_t az,
+ gmx_simd_float_t bx, gmx_simd_float_t by, gmx_simd_float_t bz)
+{
+ gmx_simd_float_t ret;
+
+ ret = gmx_simd_mul_f(ax, bx);
+ ret = gmx_simd_fmadd_f(ay, by, ret);
+ ret = gmx_simd_fmadd_f(az, bz, ret);
+
+ return ret;
+}
+
+/*! \brief SIMD float norm squared of multiple vectors.
+ *
+ * For normal usage you should always call the real-precision \ref gmx_simd_norm2_r.
+ *
+ * \param ax X components of vectors
+ * \param ay Y components of vectors
+ * \param az Z components of vectors
+ *
+ * \return Element i will be res[i] = ax[i]*ax[i]+ay[i]*ay[i]+az[i]*az[i].
+ *
+ * \note This corresponds to the scalar product of the vector with itself, but
+ * the compiler might be able to optimize it better with identical vectors.
+ */
+static gmx_inline gmx_simd_float_t gmx_simdcall
+gmx_simd_norm2_f(gmx_simd_float_t ax, gmx_simd_float_t ay, gmx_simd_float_t az)
+{
+ gmx_simd_float_t ret;
+
+ ret = gmx_simd_mul_f(ax, ax);
+ ret = gmx_simd_fmadd_f(ay, ay, ret);
+ ret = gmx_simd_fmadd_f(az, az, ret);
+
+ return ret;
+}
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * For details, see \ref gmx_simd_norm2_f.
+ */
+#define gmx_simd_calc_rsq_f gmx_simd_norm2_f
-/* x^2 + y^2 + z^2 */
-static gmx_inline gmx_mm_pr
-gmx_calc_rsq_pr(gmx_mm_pr x, gmx_mm_pr y, gmx_mm_pr z)
+/*! \brief SIMD float cross-product of multiple vectors.
+ *
+ * For normal usage you should always call the real-precision \ref gmx_simd_cprod_r.
+ *
+ * \param ax X components of first vectors
+ * \param ay Y components of first vectors
+ * \param az Z components of first vectors
+ * \param bx X components of second vectors
+ * \param by Y components of second vectors
+ * \param bz Z components of second vectors
+ * \param[out] cx X components of cross product vectors
+ * \param[out] cy Y components of cross product vectors
+ * \param[out] cz Z components of cross product vectors
+ *
+ * \returns void
+ *
+ * This calculates C = A x B, where the cross denotes the cross product.
+ * The arguments x/y/z denotes the different components, and each element
+ * corresponds to a separate vector.
+ */
+static gmx_inline void gmx_simdcall
+gmx_simd_cprod_f(gmx_simd_float_t ax, gmx_simd_float_t ay, gmx_simd_float_t az,
+ gmx_simd_float_t bx, gmx_simd_float_t by, gmx_simd_float_t bz,
+ gmx_simd_float_t *cx, gmx_simd_float_t *cy, gmx_simd_float_t *cz)
{
- return gmx_madd_pr(z, z, gmx_madd_pr(y, y, gmx_mul_pr(x, x)));
+ *cx = gmx_simd_mul_f(ay, bz);
+ *cx = gmx_simd_fnmadd_f(az, by, *cx);
+
+ *cy = gmx_simd_mul_f(az, bx);
+ *cy = gmx_simd_fnmadd_f(ax, bz, *cy);
+
+ *cz = gmx_simd_mul_f(ax, by);
+ *cz = gmx_simd_fnmadd_f(ay, bx, *cz);
}
+#endif /* GMX_SIMD_HAVE_FLOAT */
-/* inner-product of multiple vectors */
-static gmx_inline gmx_mm_pr
-gmx_iprod_pr(gmx_mm_pr ax, gmx_mm_pr ay, gmx_mm_pr az,
- gmx_mm_pr bx, gmx_mm_pr by, gmx_mm_pr bz)
+#if (defined GMX_SIMD_HAVE_DOUBLE) || (defined DOXYGEN)
+/*! \brief SIMD double inner product of multiple double vectors.
+ *
+ * \copydetails gmx_simd_iprod_f
+ */
+static gmx_inline gmx_simd_double_t gmx_simdcall
+gmx_simd_iprod_d(gmx_simd_double_t ax, gmx_simd_double_t ay, gmx_simd_double_t az,
+ gmx_simd_double_t bx, gmx_simd_double_t by, gmx_simd_double_t bz)
{
- gmx_mm_pr ret;
+ gmx_simd_double_t ret;
- ret = gmx_mul_pr(ax, bx);
- ret = gmx_madd_pr(ay, by, ret);
- ret = gmx_madd_pr(az, bz, ret);
+ ret = gmx_simd_mul_d(ax, bx);
+ ret = gmx_simd_fmadd_d(ay, by, ret);
+ ret = gmx_simd_fmadd_d(az, bz, ret);
return ret;
}
-/* norm squared of multiple vectors */
-static gmx_inline gmx_mm_pr
-gmx_norm2_pr(gmx_mm_pr ax, gmx_mm_pr ay, gmx_mm_pr az)
+/*! \brief SIMD double norm squared of multiple vectors.
+ *
+ * \copydetails gmx_simd_norm2_f
+ */
+static gmx_inline gmx_simd_double_t gmx_simdcall
+gmx_simd_norm2_d(gmx_simd_double_t ax, gmx_simd_double_t ay, gmx_simd_double_t az)
{
- gmx_mm_pr ret;
+ gmx_simd_double_t ret;
- ret = gmx_mul_pr(ax, ax);
- ret = gmx_madd_pr(ay, ay, ret);
- ret = gmx_madd_pr(az, az, ret);
+ ret = gmx_simd_mul_d(ax, ax);
+ ret = gmx_simd_fmadd_d(ay, ay, ret);
+ ret = gmx_simd_fmadd_d(az, az, ret);
return ret;
}
-/* cross-product of multiple vectors */
-static gmx_inline void
-gmx_cprod_pr(gmx_mm_pr ax, gmx_mm_pr ay, gmx_mm_pr az,
- gmx_mm_pr bx, gmx_mm_pr by, gmx_mm_pr bz,
- gmx_mm_pr *cx, gmx_mm_pr *cy, gmx_mm_pr *cz)
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * For details, see \ref gmx_simd_norm2_d.
+ */
+#define gmx_simd_calc_rsq_d gmx_simd_norm2_d
+
+/*! \brief SIMD double cross-product of multiple vectors.
+ *
+ * \copydetails gmx_simd_cprod_f
+ */
+static gmx_inline void gmx_simdcall
+gmx_simd_cprod_d(gmx_simd_double_t ax, gmx_simd_double_t ay, gmx_simd_double_t az,
+ gmx_simd_double_t bx, gmx_simd_double_t by, gmx_simd_double_t bz,
+ gmx_simd_double_t *cx, gmx_simd_double_t *cy, gmx_simd_double_t *cz)
+{
+ *cx = gmx_simd_mul_d(ay, bz);
+ *cx = gmx_simd_fnmadd_d(az, by, *cx);
+
+ *cy = gmx_simd_mul_d(az, bx);
+ *cy = gmx_simd_fnmadd_d(ax, bz, *cy);
+
+ *cz = gmx_simd_mul_d(ax, by);
+ *cz = gmx_simd_fnmadd_d(ay, bx, *cz);
+}
+#endif /* GMX_SIMD_HAVE_DOUBLE */
+
+
+#if (defined GMX_SIMD4_HAVE_FLOAT) || (defined DOXYGEN)
+/*! \brief SIMD4 float inner product of four float vectors.
+ *
+ * \copydetails gmx_simd_norm2_f
+ */
+static gmx_inline gmx_simd4_float_t gmx_simdcall
+gmx_simd4_norm2_f(gmx_simd4_float_t ax, gmx_simd4_float_t ay, gmx_simd4_float_t az)
{
- *cx = gmx_mul_pr(ay, bz);
- *cx = gmx_nmsub_pr(az, by, *cx);
+ gmx_simd4_float_t ret;
- *cy = gmx_mul_pr(az, bx);
- *cy = gmx_nmsub_pr(ax, bz, *cy);
+ ret = gmx_simd4_mul_f(ax, ax);
+ ret = gmx_simd4_fmadd_f(ay, ay, ret);
+ ret = gmx_simd4_fmadd_f(az, az, ret);
- *cz = gmx_mul_pr(ax, by);
- *cz = gmx_nmsub_pr(ay, bx, *cz);
+ return ret;
}
-/* a + b + c + d (not really a vector operation, but where else put this?) */
-static gmx_inline gmx_mm_pr
-gmx_sum4_pr(gmx_mm_pr a, gmx_mm_pr b, gmx_mm_pr c, gmx_mm_pr d)
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * For details, see \ref gmx_simd4_norm2_f
+ */
+#define gmx_simd4_calc_rsq_f gmx_simd4_norm2_f
+
+#endif /* GMX_SIMD4_HAVE_FLOAT */
+
+#if (defined GMX_SIMD4_HAVE_DOUBLE) || (defined DOXYGEN)
+/*! \brief SIMD4 double norm squared of multiple vectors.
+ *
+ * \copydetails gmx_simd_norm2_f
+ */
+static gmx_inline gmx_simd4_double_t gmx_simdcall
+gmx_simd4_norm2_d(gmx_simd4_double_t ax, gmx_simd4_double_t ay, gmx_simd4_double_t az)
{
- return gmx_add_pr(gmx_add_pr(a, b), gmx_add_pr(c, d));
+ gmx_simd4_double_t ret;
+
+ ret = gmx_simd4_mul_d(ax, ax);
+ ret = gmx_simd4_fmadd_d(ay, ay, ret);
+ ret = gmx_simd4_fmadd_d(az, az, ret);
+
+ return ret;
}
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * For details, see \ref gmx_simd4_norm2_d.
+ */
+#define gmx_simd4_calc_rsq_d gmx_simd4_norm2_d
+
+#endif /* GMX_SIMD4_HAVE_DOUBLE */
+
+
+#ifdef GMX_DOUBLE
+/* Documented for the single branch below */
+# define gmx_simd_iprod_r gmx_simd_iprod_d
+# define gmx_simd_norm2_r gmx_simd_norm2_d
+# define gmx_simd_calc_rsq_r gmx_simd_calc_rsq_d
+# define gmx_simd_cprod_r gmx_simd_cprod_d
+# define gmx_simd4_norm2_r gmx_simd4_norm2_d
+# define gmx_simd4_calc_rsq_r gmx_simd4_calc_rsq_d
+#else /* GMX_DOUBLE */
+
+/*! \brief SIMD real inner product of multiple real vectors.
+ *
+ * This will call \ref gmx_simd_iprod_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd_iprod_f.
+ *
+ * \copydetails gmx_simd_iprod_f
+ */
+# define gmx_simd_iprod_r gmx_simd_iprod_f
+
+/*! \brief SIMD real norm squared of multiple real vectors.
+ *
+ * This will call \ref gmx_simd_norm2_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd_norm2_f.
+ *
+ * \copydetails gmx_simd_norm2_f
+ */
+# define gmx_simd_norm2_r gmx_simd_norm2_f
+
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * This will call \ref gmx_simd_calc_rsq_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd_calc_rsq_f.
+ *
+ * \copydetails gmx_simd_calc_rsq_f
+ */
+# define gmx_simd_calc_rsq_r gmx_simd_calc_rsq_f
+
+/*! \brief SIMD real cross-product of multiple real vectors.
+ *
+ * This will call \ref gmx_simd_cprod_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd_cprod_f.
+ *
+ * \copydetails gmx_simd_cprod_f
+ */
+# define gmx_simd_cprod_r gmx_simd_cprod_f
+
+/*! \brief SIMD4 real norm squared of multiple vectors.
+ *
+ * This will call \ref gmx_simd4_norm2_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd4_norm2_f.
+ *
+ * \copydetails gmx_simd4_norm2_f
+ */
+# define gmx_simd4_norm2_r gmx_simd4_norm2_f
+
+/*! \brief Calculating r^2 is the same as evaluating the norm of dx*dx.
+ *
+ * This will call \ref gmx_simd4_calc_rsq_d if GMX_DOUBLE is defined, otherwise
+ * \ref gmx_simd4_calc_rsq_f.
+ *
+ * \copydetails gmx_simd4_calc_rsq_f
+ */
+# define gmx_simd4_calc_rsq_r gmx_simd4_calc_rsq_f
+
+#endif /* GMX_DOUBLE */
+
+/*! \} */
+/*! \endcond */
-#endif
+#endif /* GMX_SIMD_VECTOR_OPERATIONS_H */
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff