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41 #include "nb_kernel.h"
42 #include "gromacs/utility/smalloc.h"
43 #include "gromacs/utility/cstringutil.h"
44 #include "gromacs/utility/fatalerror.h"
47 /* Static data structures to find kernels */
48 static nb_kernel_info_t * kernel_list = NULL;
49 static unsigned int kernel_list_size = 0;
50 static int * kernel_list_hash = NULL;
51 static unsigned int kernel_list_hash_size = 0;
54 nb_kernel_hash_func(const char * arch,
56 const char * elec_mod,
65 hash = gmx_string_hash_func(arch, gmx_string_hash_init);
66 hash = gmx_string_hash_func(elec, hash);
67 hash = gmx_string_hash_func(elec_mod, hash);
68 hash = gmx_string_hash_func(vdw, hash);
69 hash = gmx_string_hash_func(vdw_mod, hash);
70 hash = gmx_string_hash_func(geom, hash);
71 hash = gmx_string_hash_func(other, hash);
72 hash = gmx_string_hash_func(vf, hash);
78 nb_kernel_list_add_kernels(nb_kernel_info_t * new_kernel_list,
79 int new_kernel_list_size)
81 srenew(kernel_list, kernel_list_size+new_kernel_list_size);
82 memcpy(kernel_list+kernel_list_size, new_kernel_list, new_kernel_list_size*sizeof(nb_kernel_info_t));
83 kernel_list_size += new_kernel_list_size;
88 nb_kernel_list_hash_init(void)
93 kernel_list_hash_size = kernel_list_size*5;
94 snew(kernel_list_hash, kernel_list_hash_size);
96 for (i = 0; i < kernel_list_hash_size; i++)
98 kernel_list_hash[i] = -1;
100 for (i = 0; i < kernel_list_size; i++)
102 index = nb_kernel_hash_func(kernel_list[i].architecture,
103 kernel_list[i].electrostatics,
104 kernel_list[i].electrostatics_modifier,
106 kernel_list[i].vdw_modifier,
107 kernel_list[i].geometry,
108 kernel_list[i].other,
109 kernel_list[i].vf) % kernel_list_hash_size;
111 /* Check for collisions and advance if necessary */
112 while (kernel_list_hash[index] != -1)
114 index = (index+1) % kernel_list_hash_size;
117 kernel_list_hash[index] = i;
123 nb_kernel_list_hash_destroy()
125 sfree(kernel_list_hash);
126 kernel_list_hash = NULL;
127 kernel_list_hash_size = 0;
132 nb_kernel_list_findkernel(FILE gmx_unused * log,
134 const char * electrostatics,
135 const char * electrostatics_modifier,
137 const char * vdw_modifier,
138 const char * geometry,
144 nb_kernel_info_t * kernelinfo_ptr;
146 if (kernel_list_hash_size == 0)
151 index = nb_kernel_hash_func(arch,
153 electrostatics_modifier,
158 vf) % kernel_list_hash_size;
160 kernelinfo_ptr = NULL;
161 while ( (i = kernel_list_hash[index]) != -1)
163 if (!gmx_strcasecmp_min(kernel_list[i].architecture, arch) &&
164 !gmx_strcasecmp_min(kernel_list[i].electrostatics, electrostatics) &&
165 !gmx_strcasecmp_min(kernel_list[i].electrostatics_modifier, electrostatics_modifier) &&
166 !gmx_strcasecmp_min(kernel_list[i].vdw, vdw) &&
167 !gmx_strcasecmp_min(kernel_list[i].vdw_modifier, vdw_modifier) &&
168 !gmx_strcasecmp_min(kernel_list[i].geometry, geometry) &&
169 !gmx_strcasecmp_min(kernel_list[i].other, other) &&
170 !gmx_strcasecmp_min(kernel_list[i].vf, vf))
172 kernelinfo_ptr = kernel_list+i;
175 index = (index+1) % kernel_list_hash_size;
178 if (debug && kernelinfo_ptr != NULL)
181 "NB kernel %s() with architecture '%s' used for neighborlist with\n"
182 " Elec: '%s', Modifier: '%s'\n"
183 " Vdw: '%s', Modifier: '%s'\n"
184 " Geom: '%s', Other: '%s', Calc: '%s'\n\n",
185 kernelinfo_ptr->kernelname, arch, electrostatics, electrostatics_modifier,
186 vdw, vdw_modifier, geometry, other, vf);
189 /* If we did not find any kernel the pointer will still be NULL */
190 return (kernelinfo_ptr != NULL) ? kernelinfo_ptr->kernelptr : NULL;