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40 #include "nb_kernel.h"
41 #include "gromacs/utility/smalloc.h"
42 #include "gromacs/utility/cstringutil.h"
43 #include "gromacs/utility/fatalerror.h"
46 /* Static data structures to find kernels */
47 static nb_kernel_info_t * kernel_list = NULL;
48 static unsigned int kernel_list_size = 0;
49 static int * kernel_list_hash = NULL;
50 static unsigned int kernel_list_hash_size = 0;
53 nb_kernel_hash_func(const char * arch,
55 const char * elec_mod,
64 hash = gmx_string_hash_func(arch, gmx_string_hash_init);
65 hash = gmx_string_hash_func(elec, hash);
66 hash = gmx_string_hash_func(elec_mod, hash);
67 hash = gmx_string_hash_func(vdw, hash);
68 hash = gmx_string_hash_func(vdw_mod, hash);
69 hash = gmx_string_hash_func(geom, hash);
70 hash = gmx_string_hash_func(other, hash);
71 hash = gmx_string_hash_func(vf, hash);
77 nb_kernel_list_add_kernels(nb_kernel_info_t * new_kernel_list,
78 int new_kernel_list_size)
80 srenew(kernel_list, kernel_list_size+new_kernel_list_size);
81 memcpy(kernel_list+kernel_list_size, new_kernel_list, new_kernel_list_size*sizeof(nb_kernel_info_t));
82 kernel_list_size += new_kernel_list_size;
87 nb_kernel_list_hash_init(void)
92 kernel_list_hash_size = kernel_list_size*5;
93 snew(kernel_list_hash, kernel_list_hash_size);
95 for (i = 0; i < kernel_list_hash_size; i++)
97 kernel_list_hash[i] = -1;
99 for (i = 0; i < kernel_list_size; i++)
101 index = nb_kernel_hash_func(kernel_list[i].architecture,
102 kernel_list[i].electrostatics,
103 kernel_list[i].electrostatics_modifier,
105 kernel_list[i].vdw_modifier,
106 kernel_list[i].geometry,
107 kernel_list[i].other,
108 kernel_list[i].vf) % kernel_list_hash_size;
110 /* Check for collisions and advance if necessary */
111 while (kernel_list_hash[index] != -1)
113 index = (index+1) % kernel_list_hash_size;
116 kernel_list_hash[index] = i;
122 nb_kernel_list_hash_destroy()
124 sfree(kernel_list_hash);
125 kernel_list_hash = NULL;
126 kernel_list_hash_size = 0;
131 nb_kernel_list_findkernel(FILE gmx_unused * log,
133 const char * electrostatics,
134 const char * electrostatics_modifier,
136 const char * vdw_modifier,
137 const char * geometry,
143 nb_kernel_info_t * kernelinfo_ptr;
145 if (kernel_list_hash_size == 0)
150 index = nb_kernel_hash_func(arch,
152 electrostatics_modifier,
157 vf) % kernel_list_hash_size;
159 kernelinfo_ptr = NULL;
160 while ( (i = kernel_list_hash[index]) != -1)
162 if (!gmx_strcasecmp_min(kernel_list[i].architecture, arch) &&
163 !gmx_strcasecmp_min(kernel_list[i].electrostatics, electrostatics) &&
164 !gmx_strcasecmp_min(kernel_list[i].electrostatics_modifier, electrostatics_modifier) &&
165 !gmx_strcasecmp_min(kernel_list[i].vdw, vdw) &&
166 !gmx_strcasecmp_min(kernel_list[i].vdw_modifier, vdw_modifier) &&
167 !gmx_strcasecmp_min(kernel_list[i].geometry, geometry) &&
168 !gmx_strcasecmp_min(kernel_list[i].other, other) &&
169 !gmx_strcasecmp_min(kernel_list[i].vf, vf))
171 kernelinfo_ptr = kernel_list+i;
174 index = (index+1) % kernel_list_hash_size;
177 if (debug && kernelinfo_ptr != NULL)
180 "NB kernel %s() with architecture '%s' used for neighborlist with\n"
181 " Elec: '%s', Modifier: '%s'\n"
182 " Vdw: '%s', Modifier: '%s'\n"
183 " Geom: '%s', Other: '%s', Calc: '%s'\n\n",
184 kernelinfo_ptr->kernelname, arch, electrostatics, electrostatics_modifier,
185 vdw, vdw_modifier, geometry, other, vf);
188 /* If we did not find any kernel the pointer will still be NULL */
189 return (kernelinfo_ptr != NULL) ? kernelinfo_ptr->kernelptr : NULL;