106 lines
2.4 KiB
C
106 lines
2.4 KiB
C
/*
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* Copyright (C) NHR@FAU, University Erlangen-Nuremberg.
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* All rights reserved. This file is part of MD-Bench.
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* Use of this source code is governed by a LGPL-3.0
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* license that can be found in the LICENSE file.
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*/
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#include <errno.h>
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#include <stdarg.h>
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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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#include <util.h>
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/* Park/Miller RNG w/out MASKING, so as to be like f90s version */
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#define IA 16807
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#define IM 2147483647
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#define AM (1.0/IM)
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#define IQ 127773
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#define IR 2836
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#define MASK 123459876
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double myrandom(int* seed) {
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int k= (*seed) / IQ;
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double ans;
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*seed = IA * (*seed - k * IQ) - IR * k;
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if(*seed < 0) *seed += IM;
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ans = AM * (*seed);
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return ans;
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}
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void random_reset(int *seed, int ibase, double *coord) {
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int i;
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char *str = (char *) &ibase;
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int n = sizeof(int);
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unsigned int hash = 0;
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for (i = 0; i < n; i++) {
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hash += str[i];
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hash += (hash << 10);
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hash ^= (hash >> 6);
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}
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str = (char *) coord;
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n = 3 * sizeof(double);
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for (i = 0; i < n; i++) {
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hash += str[i];
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hash += (hash << 10);
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hash ^= (hash >> 6);
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}
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hash += (hash << 3);
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hash ^= (hash >> 11);
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hash += (hash << 15);
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// keep 31 bits of unsigned int as new seed
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// do not allow seed = 0, since will cause hang in gaussian()
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*seed = hash & 0x7ffffff;
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if (!(*seed)) *seed = 1;
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// warm up the RNG
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for (i = 0; i < 5; i++) myrandom(seed);
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//save = 0;
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}
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int str2ff(const char *string) {
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if(strncmp(string, "lj", 2) == 0) return FF_LJ;
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if(strncmp(string, "eam", 3) == 0) return FF_EAM;
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if(strncmp(string, "dem", 3) == 0) return FF_DEM;
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return -1;
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}
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const char* ff2str(int ff) {
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if(ff == FF_LJ) { return "lj"; }
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if(ff == FF_EAM) { return "eam"; }
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if(ff == FF_DEM) { return "dem"; }
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return "invalid";
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}
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int get_cuda_num_threads() {
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const char *num_threads_env = getenv("NUM_THREADS");
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return (num_threads_env == NULL) ? 32 : atoi(num_threads_env);
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}
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void readline(char *line, FILE *fp) {
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if(fgets(line, MAXLINE, fp) == NULL) {
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if(errno != 0) {
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perror("readline()");
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exit(-1);
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}
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}
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}
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void debug_printf(const char *format, ...) {
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#ifdef DEBUG
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va_list arg;
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int ret;
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va_start(arg, format);
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if((vfprintf(stdout, format, arg)) < 0) { perror("debug_printf()"); }
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va_end(arg);
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#endif
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}
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