Reduce hwloc & cpuid test requirements
[gromacs.git] / src / programs / mdrun / tests / butane_a0.xvg
blobb31e3ba6451e3122d55124fc863fcd5c286a1a3f
1 # Table was made with:
3 # seq 0 1 180 | awk '{print $1" "$1*3.14159265358979323846/180}' | awk '{printf "%20g %20g %20g\n", $1,
4 #    0.5*460.2  *($1-111)^2,
5 # -1*0.5*406.2*2*($1-111)}'
6                    0          2.83506e+06              45088.2
7                    1          2.78421e+06                44682
8                    2          2.73382e+06              44275.8
9                    3          2.68389e+06              43869.6
10                    4          2.63441e+06              43463.4
11                    5           2.5854e+06              43057.2
12                    6          2.53685e+06                42651
13                    7          2.48876e+06              42244.8
14                    8          2.44113e+06              41838.6
15                    9          2.39396e+06              41432.4
16                   10          2.34725e+06              41026.2
17                   11            2.301e+06                40620
18                   12          2.25521e+06              40213.8
19                   13          2.20988e+06              39807.6
20                   14          2.16501e+06              39401.4
21                   15           2.1206e+06              38995.2
22                   16          2.07665e+06                38589
23                   17          2.03316e+06              38182.8
24                   18          1.99013e+06              37776.6
25                   19          1.94757e+06              37370.4
26                   20          1.90546e+06              36964.2
27                   21          1.86381e+06                36558
28                   22          1.82262e+06              36151.8
29                   23          1.78189e+06              35745.6
30                   24          1.74163e+06              35339.4
31                   25          1.70182e+06              34933.2
32                   26          1.66247e+06                34527
33                   27          1.62359e+06              34120.8
34                   28          1.58516e+06              33714.6
35                   29          1.54719e+06              33308.4
36                   30          1.50969e+06              32902.2
37                   31          1.47264e+06                32496
38                   32          1.43605e+06              32089.8
39                   33          1.39993e+06              31683.6
40                   34          1.36426e+06              31277.4
41                   35          1.32906e+06              30871.2
42                   36          1.29431e+06                30465
43                   37          1.26003e+06              30058.8
44                   38           1.2262e+06              29652.6
45                   39          1.19284e+06              29246.4
46                   40          1.15993e+06              28840.2
47                   41          1.12749e+06                28434
48                   42          1.09551e+06              28027.8
49                   43          1.06398e+06              27621.6
50                   44          1.03292e+06              27215.4
51                   45          1.00232e+06              26809.2
52                   46               972172                26403
53                   47               942490              25996.8
54                   48               913267              25590.6
55                   49               884504              25184.4
56                   50               856202              24778.2
57                   51               828360                24372
58                   52               800978              23965.8
59                   53               774056              23559.6
60                   54               747595              23153.4
61                   55               721594              22747.2
62                   56               696052                22341
63                   57               670972              21934.8
64                   58               646351              21528.6
65                   59               622190              21122.4
66                   60               598490              20716.2
67                   61               575250                20310
68                   62               552470              19903.8
69                   63               530150              19497.6
70                   64               508291              19091.4
71                   65               486892              18685.2
72                   66               465952                18279
73                   67               445474              17872.8
74                   68               425455              17466.6
75                   69               405896              17060.4
76                   70               386798              16654.2
77                   71               368160                16248
78                   72               349982              15841.8
79                   73               332264              15435.6
80                   74               315007              15029.4
81                   75               298210              14623.2
82                   76               281872                14217
83                   77               265996              13810.8
84                   78               250579              13404.6
85                   79               235622              12998.4
86                   80               221126              12592.2
87                   81               207090                12186
88                   82               193514              11779.8
89                   83               180398              11373.6
90                   84               167743              10967.4
91                   85               155548              10561.2
92                   86               143812                10155
93                   87               132538               9748.8
94                   88               121723               9342.6
95                   89               111368               8936.4
96                   90               101474               8530.2
97                   91                92040                 8124
98                   92              83066.1               7717.8
99                   93              74552.4               7311.6
100                   94              66498.9               6905.4
101                   95              58905.6               6499.2
102                   96              51772.5                 6093
103                   97              45099.6               5686.8
104                   98              38886.9               5280.6
105                   99              33134.4               4874.4
106                  100              27842.1               4468.2
107                  101                23010                 4062
108                  102              18638.1               3655.8
109                  103              14726.4               3249.6
110                  104              11274.9               2843.4
111                  105               8283.6               2437.2
112                  106               5752.5                 2031
113                  107               3681.6               1624.8
114                  108               2070.9               1218.6
115                  109                920.4                812.4
116                  110                230.1                406.2
117                  111                    0                   -0
118                  112                230.1               -406.2
119                  113                920.4               -812.4
120                  114               2070.9              -1218.6
121                  115               3681.6              -1624.8
122                  116               5752.5                -2031
123                  117               8283.6              -2437.2
124                  118              11274.9              -2843.4
125                  119              14726.4              -3249.6
126                  120              18638.1              -3655.8
127                  121                23010                -4062
128                  122              27842.1              -4468.2
129                  123              33134.4              -4874.4
130                  124              38886.9              -5280.6
131                  125              45099.6              -5686.8
132                  126              51772.5                -6093
133                  127              58905.6              -6499.2
134                  128              66498.9              -6905.4
135                  129              74552.4              -7311.6
136                  130              83066.1              -7717.8
137                  131                92040                -8124
138                  132               101474              -8530.2
139                  133               111368              -8936.4
140                  134               121723              -9342.6
141                  135               132538              -9748.8
142                  136               143812               -10155
143                  137               155548             -10561.2
144                  138               167743             -10967.4
145                  139               180398             -11373.6
146                  140               193514             -11779.8
147                  141               207090               -12186
148                  142               221126             -12592.2
149                  143               235622             -12998.4
150                  144               250579             -13404.6
151                  145               265996             -13810.8
152                  146               281872               -14217
153                  147               298210             -14623.2
154                  148               315007             -15029.4
155                  149               332264             -15435.6
156                  150               349982             -15841.8
157                  151               368160               -16248
158                  152               386798             -16654.2
159                  153               405896             -17060.4
160                  154               425455             -17466.6
161                  155               445474             -17872.8
162                  156               465952               -18279
163                  157               486892             -18685.2
164                  158               508291             -19091.4
165                  159               530150             -19497.6
166                  160               552470             -19903.8
167                  161               575250               -20310
168                  162               598490             -20716.2
169                  163               622190             -21122.4
170                  164               646351             -21528.6
171                  165               670972             -21934.8
172                  166               696052               -22341
173                  167               721594             -22747.2
174                  168               747595             -23153.4
175                  169               774056             -23559.6
176                  170               800978             -23965.8
177                  171               828360               -24372
178                  172               856202             -24778.2
179                  173               884504             -25184.4
180                  174               913267             -25590.6
181                  175               942490             -25996.8
182                  176               972172               -26403
183                  177          1.00232e+06             -26809.2
184                  178          1.03292e+06             -27215.4
185                  179          1.06398e+06             -27621.6
186                  180          1.09551e+06             -28027.8