Reduce hwloc & cpuid test requirements
[gromacs.git] / src / programs / mdrun / tests / butane_b0.xvg
blob2acfd98e6cd18e3dc2c8450593a2962e0231d97c
1 # Table was made with:
3 # seq 0 0.001 0.3 | awk '{print $1" "$1*atan2(0,-1)/180}' | awk '{printf "%20g %20g %20g\n", $1,
4 #    0.5*334700  *($1-0.153)^2,
5 #-1*(0.5*334700*2*($1-0.153))}'
6                    0               3917.5              51209.1
7                0.001              3866.45              50874.4
8                0.002              3815.75              50539.7
9                0.003              3765.38                50205
10                0.004              3715.34              49870.3
11                0.005              3665.63              49535.6
12                0.006              3616.27              49200.9
13                0.007              3567.23              48866.2
14                0.008              3518.53              48531.5
15                0.009              3470.17              48196.8
16                 0.01              3422.14              47862.1
17                0.011              3374.45              47527.4
18                0.012              3327.09              47192.7
19                0.013              3280.06                46858
20                0.014              3233.37              46523.3
21                0.015              3187.01              46188.6
22                0.016              3140.99              45853.9
23                0.017              3095.31              45519.2
24                0.018              3049.95              45184.5
25                0.019              3004.94              44849.8
26                 0.02              2960.25              44515.1
27                0.021              2915.91              44180.4
28                0.022              2871.89              43845.7
29                0.023              2828.22                43511
30                0.024              2784.87              43176.3
31                0.025              2741.86              42841.6
32                0.026              2699.19              42506.9
33                0.027              2656.85              42172.2
34                0.028              2614.84              41837.5
35                0.029              2573.17              41502.8
36                 0.03              2531.84              41168.1
37                0.031              2490.84              40833.4
38                0.032              2450.17              40498.7
39                0.033              2409.84                40164
40                0.034              2369.84              39829.3
41                0.035              2330.18              39494.6
42                0.036              2290.85              39159.9
43                0.037              2251.86              38825.2
44                0.038               2213.2              38490.5
45                0.039              2174.88              38155.8
46                 0.04              2136.89              37821.1
47                0.041              2099.24              37486.4
48                0.042              2061.92              37151.7
49                0.043              2024.93                36817
50                0.044              1988.29              36482.3
51                0.045              1951.97              36147.6
52                0.046              1915.99              35812.9
53                0.047              1880.34              35478.2
54                0.048              1845.03              35143.5
55                0.049              1810.06              34808.8
56                 0.05              1775.42              34474.1
57                0.051              1741.11              34139.4
58                0.052              1707.14              33804.7
59                0.053               1673.5                33470
60                0.054               1640.2              33135.3
61                0.055              1607.23              32800.6
62                0.056               1574.6              32465.9
63                0.057               1542.3              32131.2
64                0.058              1510.33              31796.5
65                0.059               1478.7              31461.8
66                 0.06              1447.41              31127.1
67                0.061              1416.45              30792.4
68                0.062              1385.83              30457.7
69                0.063              1355.53                30123
70                0.064              1325.58              29788.3
71                0.065              1295.96              29453.6
72                0.066              1266.67              29118.9
73                0.067              1237.72              28784.2
74                0.068               1209.1              28449.5
75                0.069              1180.82              28114.8
76                 0.07              1152.87              27780.1
77                0.071              1125.26              27445.4
78                0.072              1097.98              27110.7
79                0.073              1071.04                26776
80                0.074              1044.43              26441.3
81                0.075              1018.16              26106.6
82                0.076              992.218              25771.9
83                0.077              966.614              25437.2
84                0.078              941.344              25102.5
85                0.079              916.409              24767.8
86                 0.08              891.808              24433.1
87                0.081              867.542              24098.4
88                0.082              843.611              23763.7
89                0.083              820.015                23429
90                0.084              796.753              23094.3
91                0.085              773.826              22759.6
92                0.086              751.234              22424.9
93                0.087              728.977              22090.2
94                0.088              707.054              21755.5
95                0.089              685.466              21420.8
96                 0.09              664.212              21086.1
97                0.091              643.293              20751.4
98                0.092              622.709              20416.7
99                0.093               602.46                20082
100                0.094              582.545              19747.3
101                0.095              562.965              19412.6
102                0.096               543.72              19077.9
103                0.097               524.81              18743.2
104                0.098              506.234              18408.5
105                0.099              487.993              18073.8
106                  0.1              470.086              17739.1
107                0.101              452.514              17404.4
108                0.102              435.277              17069.7
109                0.103              418.375                16735
110                0.104              401.807              16400.3
111                0.105              385.574              16065.6
112                0.106              369.676              15730.9
113                0.107              354.113              15396.2
114                0.108              338.884              15061.5
115                0.109               323.99              14726.8
116                 0.11               309.43              14392.1
117                0.111              295.205              14057.4
118                0.112              281.315              13722.7
119                0.113               267.76                13388
120                0.114              254.539              13053.3
121                0.115              241.653              12718.6
122                0.116              229.102              12383.9
123                0.117              216.886              12049.2
124                0.118              205.004              11714.5
125                0.119              193.457              11379.8
126                 0.12              182.244              11045.1
127                0.121              171.366              10710.4
128                0.122              160.823              10375.7
129                0.123              150.615                10041
130                0.124              140.741               9706.3
131                0.125              131.202               9371.6
132                0.126              121.998               9036.9
133                0.127              113.129               8702.2
134                0.128              104.594               8367.5
135                0.129              96.3936               8032.8
136                 0.13              88.5281               7698.1
137                0.131              80.9974               7363.4
138                0.132              73.8013               7028.7
139                0.133                66.94                 6694
140                0.134              60.4133               6359.3
141                0.135              54.2214               6024.6
142                0.136              48.3641               5689.9
143                0.137              42.8416               5355.2
144                0.138              37.6537               5020.5
145                0.139              32.8006               4685.8
146                 0.14              28.2821               4351.1
147                0.141              24.0984               4016.4
148                0.142              20.2494               3681.7
149                0.143               16.735                 3347
150                0.144              13.5554               3012.3
151                0.145              10.7104               2677.6
152                0.146              8.20015               2342.9
153                0.147               6.0246               2008.2
154                0.148              4.18375               1673.5
155                0.149               2.6776               1338.8
156                 0.15              1.50615               1004.1
157                0.151               0.6694                669.4
158                0.152              0.16735                334.7
159                0.153                    0                   -0
160                0.154              0.16735               -334.7
161                0.155               0.6694               -669.4
162                0.156              1.50615              -1004.1
163                0.157               2.6776              -1338.8
164                0.158              4.18375              -1673.5
165                0.159               6.0246              -2008.2
166                 0.16              8.20015              -2342.9
167                0.161              10.7104              -2677.6
168                0.162              13.5554              -3012.3
169                0.163               16.735                -3347
170                0.164              20.2494              -3681.7
171                0.165              24.0984              -4016.4
172                0.166              28.2822              -4351.1
173                0.167              32.8006              -4685.8
174                0.168              37.6538              -5020.5
175                0.169              42.8416              -5355.2
176                 0.17              48.3642              -5689.9
177                0.171              54.2214              -6024.6
178                0.172              60.4133              -6359.3
179                0.173                66.94                -6694
180                0.174              73.8013              -7028.7
181                0.175              80.9974              -7363.4
182                0.176              88.5281              -7698.1
183                0.177              96.3936              -8032.8
184                0.178              104.594              -8367.5
185                0.179              113.129              -8702.2
186                 0.18              121.998              -9036.9
187                0.181              131.202              -9371.6
188                0.182              140.741              -9706.3
189                0.183              150.615               -10041
190                0.184              160.823             -10375.7
191                0.185              171.366             -10710.4
192                0.186              182.244             -11045.1
193                0.187              193.457             -11379.8
194                0.188              205.004             -11714.5
195                0.189              216.886             -12049.2
196                 0.19              229.102             -12383.9
197                0.191              241.653             -12718.6
198                0.192              254.539             -13053.3
199                0.193               267.76               -13388
200                0.194              281.315             -13722.7
201                0.195              295.205             -14057.4
202                0.196               309.43             -14392.1
203                0.197               323.99             -14726.8
204                0.198              338.884             -15061.5
205                0.199              354.113             -15396.2
206                  0.2              369.676             -15730.9
207                0.201              385.574             -16065.6
208                0.202              401.807             -16400.3
209                0.203              418.375               -16735
210                0.204              435.277             -17069.7
211                0.205              452.514             -17404.4
212                0.206              470.086             -17739.1
213                0.207              487.993             -18073.8
214                0.208              506.234             -18408.5
215                0.209               524.81             -18743.2
216                 0.21               543.72             -19077.9
217                0.211              562.965             -19412.6
218                0.212              582.545             -19747.3
219                0.213               602.46               -20082
220                0.214              622.709             -20416.7
221                0.215              643.293             -20751.4
222                0.216              664.212             -21086.1
223                0.217              685.466             -21420.8
224                0.218              707.054             -21755.5
225                0.219              728.977             -22090.2
226                 0.22              751.234             -22424.9
227                0.221              773.826             -22759.6
228                0.222              796.753             -23094.3
229                0.223              820.015               -23429
230                0.224              843.611             -23763.7
231                0.225              867.542             -24098.4
232                0.226              891.808             -24433.1
233                0.227              916.409             -24767.8
234                0.228              941.344             -25102.5
235                0.229              966.614             -25437.2
236                 0.23              992.218             -25771.9
237                0.231              1018.16             -26106.6
238                0.232              1044.43             -26441.3
239                0.233              1071.04               -26776
240                0.234              1097.98             -27110.7
241                0.235              1125.26             -27445.4
242                0.236              1152.87             -27780.1
243                0.237              1180.82             -28114.8
244                0.238               1209.1             -28449.5
245                0.239              1237.72             -28784.2
246                 0.24              1266.67             -29118.9
247                0.241              1295.96             -29453.6
248                0.242              1325.58             -29788.3
249                0.243              1355.53               -30123
250                0.244              1385.83             -30457.7
251                0.245              1416.45             -30792.4
252                0.246              1447.41             -31127.1
253                0.247               1478.7             -31461.8
254                0.248              1510.33             -31796.5
255                0.249               1542.3             -32131.2
256                 0.25               1574.6             -32465.9
257                0.251              1607.23             -32800.6
258                0.252               1640.2             -33135.3
259                0.253               1673.5               -33470
260                0.254              1707.14             -33804.7
261                0.255              1741.11             -34139.4
262                0.256              1775.42             -34474.1
263                0.257              1810.06             -34808.8
264                0.258              1845.03             -35143.5
265                0.259              1880.34             -35478.2
266                 0.26              1915.99             -35812.9
267                0.261              1951.97             -36147.6
268                0.262              1988.29             -36482.3
269                0.263              2024.94               -36817
270                0.264              2061.92             -37151.7
271                0.265              2099.24             -37486.4
272                0.266              2136.89             -37821.1
273                0.267              2174.88             -38155.8
274                0.268               2213.2             -38490.5
275                0.269              2251.86             -38825.2
276                 0.27              2290.85             -39159.9
277                0.271              2330.18             -39494.6
278                0.272              2369.84             -39829.3
279                0.273              2409.84               -40164
280                0.274              2450.17             -40498.7
281                0.275              2490.84             -40833.4
282                0.276              2531.84             -41168.1
283                0.277              2573.17             -41502.8
284                0.278              2614.84             -41837.5
285                0.279              2656.85             -42172.2
286                 0.28              2699.19             -42506.9
287                0.281              2741.86             -42841.6
288                0.282              2784.87             -43176.3
289                0.283              2828.21               -43511
290                0.284              2871.89             -43845.7
291                0.285              2915.91             -44180.4
292                0.286              2960.25             -44515.1
293                0.287              3004.94             -44849.8
294                0.288              3049.95             -45184.5
295                0.289              3095.31             -45519.2
296                 0.29              3140.99             -45853.9
297                0.291              3187.01             -46188.6
298                0.292              3233.37             -46523.3
299                0.293              3280.06               -46858
300                0.294              3327.09             -47192.7
301                0.295              3374.45             -47527.4
302                0.296              3422.14             -47862.1
303                0.297              3470.17             -48196.8
304                0.298              3518.53             -48531.5
305                0.299              3567.23             -48866.2
306                  0.3              3616.27             -49200.9