include/gmx_blas.h

   1 /*
   2  *
   3  *                This source code is part of
   4  *
   5  *                 G   R   O   M   A   C   S
   6  *
   7  *          GROningen MAchine for Chemical Simulations
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   9  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  10  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  11  * Copyright (c) 2001-2008, The GROMACS development team,
  12  * check out http://www.gromacs.org for more information.
  13
  14  * This program is free software; you can redistribute it and/or
  15  * modify it under the terms of the GNU General Public License
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  17  * of the License, or (at your option) any later version.
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  33  */
  34
  35 #ifndef _GMX_BLAS_H_
  36 #define _GMX_BLAS_H_
  37
  38 #include "types/simple.h"
  39
  40
  41 /** @file
  42  *
  43  *  @brief Header definitions for the standard BLAS library.
  44  *
  45  * This is the subset of BLAS routines used for the
  46  * linear algebra operations in Gromacs.
  47  * Do NOT use this for other purposes - we only provide this as a
  48  * simple fallback/reference implementation when no optimized BLAS
  49  * is present. If you need an implementation for your own code
  50  * there are several much faster versions out there.
  51  *
  52  * All routines are compatible with the BLAS reference implementation,
  53  * meaning they assume fortran-style matrix row/column organization.
  54  *
  55  * There is plenty of documentation for these routines available
  56  * at http://www.netlib.org/blas , so there is no point in repeating
  57  * it here.
  58  */
  59
  60 #ifdef __cplusplus
  61 extern "C" {
  62 #endif
  63 #if 0
  64 }
  65 #endif
  66
  67 #ifndef F77_FUNC
  68 #define F77_FUNC(name,NAME) name ## _
  69 #endif
  70
  71
  72 /* Double precision versions */
  73 double
  74 F77_FUNC(dasum,DASUM)(int *n, double *dx, int *incx);
  75
  76 void
  77 F77_FUNC(daxpy,DAXPY)(int *n, double *da, double *dx, int *incx, double *dy, int *incy);
  78
  79 void
  80 F77_FUNC(dcopy,DCOPY)(int *n, double *dx, int *incx, double *dy, int *incy);
  81
  82 double
  83 F77_FUNC(ddot,DDOT)(int *n, double *dx, int *incx, double *dy, int *incy);
  84
  85 void
  86 F77_FUNC(dgemm,DGEMM)(const char *transa, const char *transb, int *m, int *n, int *k,
  87        double *alpha, double *a, int *lda, double *b, int *ldb,
  88        double *beta, double *c, int *ldc);
  89
  90 void
  91 F77_FUNC(dgemv,DGEMV)(const char *trans, int *m, int *n, double *alpha, double *a, int *lda,
  92        double *x, int *incx, double *beta, double *y, int *incy);
  93
  94 void
  95 F77_FUNC(dger,DGER)(int *m, int *n, double *alpha, double *x, int *incx,
  96       double *y, int *incy, double *a, int *lda);
  97
  98 double
  99 F77_FUNC(dnrm2,DNRM2)(int  *n, double *x, int *incx);
 100
 101 void
 102 F77_FUNC(drot,DROT)(int *n, double *dx, int *incx,
 103       double *dy, int *incy, double *c, double *s);
 104
 105 void
 106 F77_FUNC(dscal,DSCAL)(int *n, double *fact, double *dx, int *incx);
 107
 108 void
 109 F77_FUNC(dswap,DSWAP)(int *n, double *dx, int *incx, double *dy, int *incy);
 110
 111 void
 112 F77_FUNC(dsymv,DSYMV)(const char *uplo, int *n, double *alpha, double *a, int *lda,
 113        double *x, int *incx, double *beta, double *y, int *incy);
 114
 115 void
 116 F77_FUNC(dsyr2,DSYR2)(const char *uplo, int *n, double *alpha, double *x, int *incx,
 117        double *y, int *incy, double *a, int *lda);
 118
 119 void
 120 F77_FUNC(dsyr2k,DSYR2K)(const char *uplo, const char *trans, int *n, int *k, double *alpha, double *a,
 121         int *lda, double *b, int *ldb, double *beta, double *c, int *ldc);
 122
 123 void
 124 F77_FUNC(dtrmm,DTRMM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 125        double *alpha, double *a, int *lda, double *b, int *ldb);
 126
 127 void
 128 F77_FUNC(dtrmv,DTRMV)(const char *uplo, const char *trans, const char *diag, int *n,
 129        double *a, int *lda, double *x, int *incx);
 130
 131 void
 132 F77_FUNC(dtrsm,DTRSM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 133        double *alpha, double *a,int *lda, double *b, int *ldb);
 134
 135 int
 136 F77_FUNC(idamax,IDAMAX)(int *n, double *dx, int *incx);
 137
 138
 139
 140 /* Single precision versions */
 141 float
 142 F77_FUNC(sasum,SASUM)(int *n, float *dx, int *incx);
 143
 144 void
 145 F77_FUNC(saxpy,SAXPY)(int *n, float *da, float *dx, int *incx, float *dy, int *incy);
 146
 147 void
 148 F77_FUNC(scopy,SCOPY)(int *n, float *dx, int *incx, float *dy, int *incy);
 149
 150 float
 151 F77_FUNC(sdot,SDOT)(int *n, float *dx, int *incx, float *dy, int *incy);
 152
 153 void
 154 F77_FUNC(sgemm,SGEMM)(const char *transa, const char *transb, int *m, int *n, int *k,
 155        float *alpha, float *a, int *lda, float *b, int *ldb,
 156        float *beta, float *c, int *ldc);
 157
 158 void
 159 F77_FUNC(sgemv,SGEMV)(const char *trans, int *m, int *n, float *alpha, float *a, int *lda,
 160        float *x, int *incx, float *beta, float *y, int *incy);
 161
 162 void
 163 F77_FUNC(sger,SGER)(int *m, int *n, float *alpha, float *x, int *incx,
 164       float *y, int *incy, float *a, int *lda);
 165
 166 float
 167 F77_FUNC(snrm2,SNRM2)(int  *n, float *x, int *incx);
 168
 169 void
 170 F77_FUNC(srot,SROT)(int *n, float *dx, int *incx,
 171       float *dy, int *incy, float *c, float *s);
 172
 173 void
 174 F77_FUNC(sscal,SSCAL)(int *n, float *fact, float *dx, int *incx);
 175
 176 void
 177 F77_FUNC(sswap,SSWAP)(int *n, float *dx, int *incx, float *dy, int *incy);
 178
 179 void
 180 F77_FUNC(ssymv,SSYMV)(const char *uplo, int *n, float *alpha, float *a, int *lda,
 181        float *x, int *incx, float *beta, float *y, int *incy);
 182
 183 void
 184 F77_FUNC(ssyr2,SSYR2)(const char *uplo, int *n, float *alpha, float *x, int *incx,
 185        float *y, int *incy, float *a, int *lda);
 186
 187 void
 188 F77_FUNC(ssyr2k,SSYR2K)(const char *uplo, const char *trans, int *n, int *k, float *alpha, float *a,
 189         int *lda, float *b, int *ldb, float *beta, float *c, int *ldc);
 190
 191 void
 192 F77_FUNC(strmm,STRMM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 193        float *alpha, float *a, int *lda, float *b, int *ldb);
 194
 195 void
 196 F77_FUNC(strmv,STRMV)(const char *uplo, const char *trans, const char *diag, int *n,
 197        float *a, int *lda, float *x, int *incx);
 198
 199 void
 200 F77_FUNC(strsm,STRSM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 201        float *alpha, float *a,int *lda, float *b, int *ldb);
 202
 203 int
 204 F77_FUNC(isamax,ISAMAX)(int *n, float *dx, int *incx);
 205
 206
 207 #ifdef __cplusplus
 208 }
 209 #endif
 210
 211
 212
 213 #endif /* _BLAS_H_ */