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43 #include "nb_kernel.h"
46 #include "gmx_fatal.h"
49 /* Static data structures to find kernels */
50 static nb_kernel_info_t * kernel_list = NULL;
51 static unsigned int kernel_list_size = 0;
52 static int * kernel_list_hash = NULL;
53 static unsigned int kernel_list_hash_size = 0;
56 nb_kernel_hash_func(const char * arch,
58 const char * elec_mod,
67 hash = gmx_string_hash_func(arch, gmx_string_hash_init);
68 hash = gmx_string_hash_func(elec, hash);
69 hash = gmx_string_hash_func(elec_mod, hash);
70 hash = gmx_string_hash_func(vdw, hash);
71 hash = gmx_string_hash_func(vdw_mod, hash);
72 hash = gmx_string_hash_func(geom, hash);
73 hash = gmx_string_hash_func(other, hash);
74 hash = gmx_string_hash_func(vf, hash);
80 nb_kernel_list_add_kernels(nb_kernel_info_t * new_kernel_list,
81 int new_kernel_list_size)
83 srenew(kernel_list, kernel_list_size+new_kernel_list_size);
84 memcpy(kernel_list+kernel_list_size, new_kernel_list, new_kernel_list_size*sizeof(nb_kernel_info_t));
85 kernel_list_size += new_kernel_list_size;
90 nb_kernel_list_hash_init(void)
95 kernel_list_hash_size = kernel_list_size*5;
96 snew(kernel_list_hash, kernel_list_hash_size);
98 for (i = 0; i < kernel_list_hash_size; i++)
100 kernel_list_hash[i] = -1;
102 for (i = 0; i < kernel_list_size; i++)
104 index = nb_kernel_hash_func(kernel_list[i].architecture,
105 kernel_list[i].electrostatics,
106 kernel_list[i].electrostatics_modifier,
108 kernel_list[i].vdw_modifier,
109 kernel_list[i].geometry,
110 kernel_list[i].other,
111 kernel_list[i].vf) % kernel_list_hash_size;
113 /* Check for collisions and advance if necessary */
114 while (kernel_list_hash[index] != -1)
116 index = (index+1) % kernel_list_hash_size;
119 kernel_list_hash[index] = i;
125 nb_kernel_list_hash_destroy()
127 sfree(kernel_list_hash);
128 kernel_list_hash = NULL;
129 kernel_list_hash_size = 0;
134 nb_kernel_list_findkernel(FILE gmx_unused * log,
136 const char * electrostatics,
137 const char * electrostatics_modifier,
139 const char * vdw_modifier,
140 const char * geometry,
146 nb_kernel_info_t * kernelinfo_ptr;
148 if (kernel_list_hash_size == 0)
153 index = nb_kernel_hash_func(arch,
155 electrostatics_modifier,
160 vf) % kernel_list_hash_size;
162 kernelinfo_ptr = NULL;
163 while ( (i = kernel_list_hash[index]) != -1)
165 if (!gmx_strcasecmp_min(kernel_list[i].architecture, arch) &&
166 !gmx_strcasecmp_min(kernel_list[i].electrostatics, electrostatics) &&
167 !gmx_strcasecmp_min(kernel_list[i].electrostatics_modifier, electrostatics_modifier) &&
168 !gmx_strcasecmp_min(kernel_list[i].vdw, vdw) &&
169 !gmx_strcasecmp_min(kernel_list[i].vdw_modifier, vdw_modifier) &&
170 !gmx_strcasecmp_min(kernel_list[i].geometry, geometry) &&
171 !gmx_strcasecmp_min(kernel_list[i].other, other) &&
172 !gmx_strcasecmp_min(kernel_list[i].vf, vf))
174 kernelinfo_ptr = kernel_list+i;
177 index = (index+1) % kernel_list_hash_size;
180 if (debug && kernelinfo_ptr != NULL)
183 "NB kernel %s() with architecture '%s' used for neighborlist with\n"
184 " Elec: '%s', Modifier: '%s'\n"
185 " Vdw: '%s', Modifier: '%s'\n"
186 " Geom: '%s', Other: '%s', Calc: '%s'\n\n",
187 kernelinfo_ptr->kernelname, arch, electrostatics, electrostatics_modifier,
188 vdw, vdw_modifier, geometry, other, vf);
191 /* If we did not find any kernel the pointer will still be NULL */
192 return (kernelinfo_ptr != NULL) ? kernelinfo_ptr->kernelptr : NULL;