include/gmx_blas.h

   1 /*
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   3  *                This source code is part of
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   7  *          GROningen MAchine for Chemical Simulations
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  12  * check out http://www.gromacs.org for more information.
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  14  * This program is free software; you can redistribute it and/or
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  34
  35 #ifndef _GMX_BLAS_H_
  36 #define _GMX_BLAS_H_
  37
  38 #include "types/simple.h"
  39
  40 /* Suppress Cygwin compiler warnings from using newlib version of
  41  * ctype.h */
  42 #ifdef GMX_CYGWIN
  43 #undef toupper
  44 #endif
  45
  46
  47 /** @file
  48  *
  49  *  @brief Header definitions for the standard BLAS library.
  50  *
  51  * This is the subset of BLAS routines used for the
  52  * linear algebra operations in Gromacs.
  53  * Do NOT use this for other purposes - we only provide this as a
  54  * simple fallback/reference implementation when no optimized BLAS
  55  * is present. If you need an implementation for your own code
  56  * there are several much faster versions out there.
  57  *
  58  * All routines are compatible with the BLAS reference implementation,
  59  * meaning they assume fortran-style matrix row/column organization.
  60  *
  61  * There is plenty of documentation for these routines available
  62  * at http://www.netlib.org/blas , so there is no point in repeating
  63  * it here.
  64  */
  65
  66 #ifdef __cplusplus
  67 extern "C" {
  68 #endif
  69 #if 0
  70 }
  71 #endif
  72
  73 #ifndef F77_FUNC
  74 #define F77_FUNC(name,NAME) name ## _
  75 #endif
  76
  77
  78 /* Double precision versions */
  79 double
  80 F77_FUNC(dasum,DASUM)(int *n, double *dx, int *incx);
  81
  82 void
  83 F77_FUNC(daxpy,DAXPY)(int *n, double *da, double *dx, int *incx, double *dy, int *incy);
  84
  85 void
  86 F77_FUNC(dcopy,DCOPY)(int *n, double *dx, int *incx, double *dy, int *incy);
  87
  88 double
  89 F77_FUNC(ddot,DDOT)(int *n, double *dx, int *incx, double *dy, int *incy);
  90
  91 void
  92 F77_FUNC(dgemm,DGEMM)(const char *transa, const char *transb, int *m, int *n, int *k,
  93        double *alpha, double *a, int *lda, double *b, int *ldb,
  94        double *beta, double *c, int *ldc);
  95
  96 void
  97 F77_FUNC(dgemv,DGEMV)(const char *trans, int *m, int *n, double *alpha, double *a, int *lda,
  98        double *x, int *incx, double *beta, double *y, int *incy);
  99
 100 void
 101 F77_FUNC(dger,DGER)(int *m, int *n, double *alpha, double *x, int *incx,
 102       double *y, int *incy, double *a, int *lda);
 103
 104 double
 105 F77_FUNC(dnrm2,DNRM2)(int  *n, double *x, int *incx);
 106
 107 void
 108 F77_FUNC(drot,DROT)(int *n, double *dx, int *incx,
 109       double *dy, int *incy, double *c, double *s);
 110
 111 void
 112 F77_FUNC(dscal,DSCAL)(int *n, double *fact, double *dx, int *incx);
 113
 114 void
 115 F77_FUNC(dswap,DSWAP)(int *n, double *dx, int *incx, double *dy, int *incy);
 116
 117 void
 118 F77_FUNC(dsymv,DSYMV)(const char *uplo, int *n, double *alpha, double *a, int *lda,
 119        double *x, int *incx, double *beta, double *y, int *incy);
 120
 121 void
 122 F77_FUNC(dsyr2,DSYR2)(const char *uplo, int *n, double *alpha, double *x, int *incx,
 123        double *y, int *incy, double *a, int *lda);
 124
 125 void
 126 F77_FUNC(dsyr2k,DSYR2K)(const char *uplo, const char *trans, int *n, int *k, double *alpha, double *a,
 127         int *lda, double *b, int *ldb, double *beta, double *c, int *ldc);
 128
 129 void
 130 F77_FUNC(dtrmm,DTRMM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 131        double *alpha, double *a, int *lda, double *b, int *ldb);
 132
 133 void
 134 F77_FUNC(dtrmv,DTRMV)(const char *uplo, const char *trans, const char *diag, int *n,
 135        double *a, int *lda, double *x, int *incx);
 136
 137 void
 138 F77_FUNC(dtrsm,DTRSM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 139        double *alpha, double *a,int *lda, double *b, int *ldb);
 140
 141 int
 142 F77_FUNC(idamax,IDAMAX)(int *n, double *dx, int *incx);
 143
 144
 145
 146 /* Single precision versions */
 147 float
 148 F77_FUNC(sasum,SASUM)(int *n, float *dx, int *incx);
 149
 150 void
 151 F77_FUNC(saxpy,SAXPY)(int *n, float *da, float *dx, int *incx, float *dy, int *incy);
 152
 153 void
 154 F77_FUNC(scopy,SCOPY)(int *n, float *dx, int *incx, float *dy, int *incy);
 155
 156 float
 157 F77_FUNC(sdot,SDOT)(int *n, float *dx, int *incx, float *dy, int *incy);
 158
 159 void
 160 F77_FUNC(sgemm,SGEMM)(const char *transa, const char *transb, int *m, int *n, int *k,
 161        float *alpha, float *a, int *lda, float *b, int *ldb,
 162        float *beta, float *c, int *ldc);
 163
 164 void
 165 F77_FUNC(sgemv,SGEMV)(const char *trans, int *m, int *n, float *alpha, float *a, int *lda,
 166        float *x, int *incx, float *beta, float *y, int *incy);
 167
 168 void
 169 F77_FUNC(sger,SGER)(int *m, int *n, float *alpha, float *x, int *incx,
 170       float *y, int *incy, float *a, int *lda);
 171
 172 float
 173 F77_FUNC(snrm2,SNRM2)(int  *n, float *x, int *incx);
 174
 175 void
 176 F77_FUNC(srot,SROT)(int *n, float *dx, int *incx,
 177       float *dy, int *incy, float *c, float *s);
 178
 179 void
 180 F77_FUNC(sscal,SSCAL)(int *n, float *fact, float *dx, int *incx);
 181
 182 void
 183 F77_FUNC(sswap,SSWAP)(int *n, float *dx, int *incx, float *dy, int *incy);
 184
 185 void
 186 F77_FUNC(ssymv,SSYMV)(const char *uplo, int *n, float *alpha, float *a, int *lda,
 187        float *x, int *incx, float *beta, float *y, int *incy);
 188
 189 void
 190 F77_FUNC(ssyr2,SSYR2)(const char *uplo, int *n, float *alpha, float *x, int *incx,
 191        float *y, int *incy, float *a, int *lda);
 192
 193 void
 194 F77_FUNC(ssyr2k,SSYR2K)(const char *uplo, const char *trans, int *n, int *k, float *alpha, float *a,
 195         int *lda, float *b, int *ldb, float *beta, float *c, int *ldc);
 196
 197 void
 198 F77_FUNC(strmm,STRMM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 199        float *alpha, float *a, int *lda, float *b, int *ldb);
 200
 201 void
 202 F77_FUNC(strmv,STRMV)(const char *uplo, const char *trans, const char *diag, int *n,
 203        float *a, int *lda, float *x, int *incx);
 204
 205 void
 206 F77_FUNC(strsm,STRSM)(const char *side, const char *uplo, const char *transa, const char *diag, int *m, int *n,
 207        float *alpha, float *a,int *lda, float *b, int *ldb);
 208
 209 int
 210 F77_FUNC(isamax,ISAMAX)(int *n, float *dx, int *incx);
 211
 212
 213 #ifdef __cplusplus
 214 }
 215 #endif
 216
 217
 218
 219 #endif /* _BLAS_H_ */