The nodisk method and the memory design in the input make the calcualtion slow.
It seems it can go on with NWCHEM6.8 on Ubuntu17.10 and OpenMpi
...
symmetry use F
commencing triples evaluation - blocking 1
ccsd(t): done 1 out of 201 progress: 0.5%
ccsd(t): done 2 out of 201 progress: 1.0%
ccsd(t): done 3 out of 201 progress: 1.5%
ccsd(t): done 4 out of 201 progress: 2.0%
ccsd(t): done 5 out of 201 progress: 2.5%
ccsd(t): done 6 out of 201 progress: 3.0%
ccsd(t): done 7 out of 201 progress: 3.5%
ccsd(t): done 8 out of 201 progress: 4.0%
ccsd(t): done 9 out of 201 progress: 4.5%
ccsd(t): done 10 out of 201 progress: 5.0%
ccsd(t): done 11 out of 201 progress: 5.5%
ccsd(t): done 12 out of 201 progress: 6.0%
ccsd(t): done 13 out of 201 progress: 6.5%
ccsd(t): done 14 out of 201 progress: 7.0%
ccsd(t): done 15 out of 201 progress: 7.5%
ccsd(t): done 16 out of 201 progress: 8.0%
ccsd(t): done 17 out of 201 progress: 8.5%
ccsd(t): done 18 out of 201 progress: 9.0%
ccsd(t): done 19 out of 201 progress: 9.5%
ccsd(t): done 20 out of 201 progress: 10.0%
ccsd(t): done 21 out of 201 progress: 10.4%
ccsd(t): done 22 out of 201 progress: 10.9%
ccsd(t): done 23 out of 201 progress: 11.4%
ccsd(t): done 24 out of 201 progress: 11.9%
ccsd(t): done 25 out of 201 progress: 12.4%
ccsd(t): done 26 out of 201 progress: 12.9%
ccsd(t): done 27 out of 201 progress: 13.4%
ccsd(t): done 28 out of 201 progress: 13.9%
ccsd(t): done 29 out of 201 progress: 14.4%
ccsd(t): done 30 out of 201 progress: 14.9%
ccsd(t): done 31 out of 201 progress: 15.4%
ccsd(t): done 32 out of 201 progress: 15.9%
ccsd(t): done 33 out of 201 progress: 16.4%
ccsd(t): done 34 out of 201 progress: 16.9%
ccsd(t): done 35 out of 201 progress: 17.4%
ccsd(t): done 36 out of 201 progress: 17.9%
ccsd(t): done 37 out of 201 progress: 18.4%
ccsd(t): done 38 out of 201 progress: 18.9%
ccsd(t): done 39 out of 201 progress: 19.4%
ccsd(t): done 40 out of 201 progress: 19.9%
ccsd(t): done 41 out of 201 progress: 20.4%
ccsd(t): done 42 out of 201 progress: 20.9%
ccsd(t): done 43 out of 201 progress: 21.4%
ccsd(t): done 44 out of 201 progress: 21.9%
ccsd(t): done 45 out of 201 progress: 22.4%
ccsd(t): done 46 out of 201 progress: 22.9%
ccsd(t): done 47 out of 201 progress: 23.4%
ccsd(t): done 48 out of 201 progress: 23.9%
ccsd(t): done 49 out of 201 progress: 24.4%
ccsd(t): done 50 out of 201 progress: 24.9%
ccsd(t): done 51 out of 201 progress: 25.4%
ccsd(t): done 52 out of 201 progress: 25.9%
ccsd(t): done 53 out of 201 progress: 26.4%
ccsd(t): done 54 out of 201 progress: 26.9%
ccsd(t): done 55 out of 201 progress: 27.4%
ccsd(t): done 56 out of 201 progress: 27.9%
ccsd(t): done 57 out of 201 progress: 28.4%
ccsd(t): done 58 out of 201 progress: 28.9%
ccsd(t): done 59 out of 201 progress: 29.4%
ccsd(t): done 60 out of 201 progress: 29.9%
ccsd(t): done 61 out of 201 progress: 30.3%
ccsd(t): done 62 out of 201 progress: 30.8%
ccsd(t): done 63 out of 201 progress: 31.3%
ccsd(t): done 64 out of 201 progress: 31.8%
ccsd(t): done 65 out of 201 progress: 32.3%
ccsd(t): done 66 out of 201 progress: 32.8%
ccsd(t): done 67 out of 201 progress: 33.3%
ccsd(t): done 68 out of 201 progress: 33.8%
ccsd(t): done 69 out of 201 progress: 34.3%
ccsd(t): done 70 out of 201 progress: 34.8%
ccsd(t): done 71 out of 201 progress: 35.3%
ccsd(t): done 72 out of 201 progress: 35.8%
ccsd(t): done 73 out of 201 progress: 36.3%
ccsd(t): done 74 out of 201 progress: 36.8%
ccsd(t): done 75 out of 201 progress: 37.3%
ccsd(t): done 76 out of 201 progress: 37.8%
ccsd(t): done 77 out of 201 progress: 38.3%
ccsd(t): done 78 out of 201 progress: 38.8%
ccsd(t): done 79 out of 201 progress: 39.3%
ccsd(t): done 80 out of 201 progress: 39.8%
ccsd(t): done 81 out of 201 progress: 40.3%
ccsd(t): done 82 out of 201 progress: 40.8%
ccsd(t): done 83 out of 201 progress: 41.3%
ccsd(t): done 84 out of 201 progress: 41.8%
ccsd(t): done 85 out of 201 progress: 42.3%
ccsd(t): done 86 out of 201 progress: 42.8%
ccsd(t): done 87 out of 201 progress: 43.3%
ccsd(t): done 88 out of 201 progress: 43.8%
ccsd(t): done 89 out of 201 progress: 44.3%
ccsd(t): done 90 out of 201 progress: 44.8%
ccsd(t): done 91 out of 201 progress: 45.3%
ccsd(t): done 92 out of 201 progress: 45.8%
ccsd(t): done 93 out of 201 progress: 46.3%
ccsd(t): done 94 out of 201 progress: 46.8%
ccsd(t): done 95 out of 201 progress: 47.3%
ccsd(t): done 96 out of 201 progress: 47.8%
ccsd(t): done 97 out of 201 progress: 48.3%
ccsd(t): done 98 out of 201 progress: 48.8%
ccsd(t): done 99 out of 201 progress: 49.3%
ccsd(t): done 100 out of 201 progress: 49.8%
ccsd(t): done 101 out of 201 progress: 50.2%
ccsd(t): done 102 out of 201 progress: 50.7%
ccsd(t): done 103 out of 201 progress: 51.2%
ccsd(t): done 104 out of 201 progress: 51.7%
ccsd(t): done 105 out of 201 progress: 52.2%
ccsd(t): done 106 out of 201 progress: 52.7%
ccsd(t): done 107 out of 201 progress: 53.2%
ccsd(t): done 108 out of 201 progress: 53.7%
ccsd(t): done 109 out of 201 progress: 54.2%
ccsd(t): done 110 out of 201 progress: 54.7%
ccsd(t): done 111 out of 201 progress: 55.2%
ccsd(t): done 112 out of 201 progress: 55.7%
ccsd(t): done 113 out of 201 progress: 56.2%
ccsd(t): done 114 out of 201 progress: 56.7%
ccsd(t): done 115 out of 201 progress: 57.2%
ccsd(t): done 116 out of 201 progress: 57.7%
ccsd(t): done 117 out of 201 progress: 58.2%
ccsd(t): done 118 out of 201 progress: 58.7%
ccsd(t): done 119 out of 201 progress: 59.2%
ccsd(t): done 120 out of 201 progress: 59.7%
ccsd(t): done 121 out of 201 progress: 60.2%
ccsd(t): done 122 out of 201 progress: 60.7%
ccsd(t): done 123 out of 201 progress: 61.2%
ccsd(t): done 124 out of 201 progress: 61.7%
ccsd(t): done 125 out of 201 progress: 62.2%
ccsd(t): done 126 out of 201 progress: 62.7%
ccsd(t): done 127 out of 201 progress: 63.2%
ccsd(t): done 128 out of 201 progress: 63.7%
ccsd(t): done 129 out of 201 progress: 64.2%
ccsd(t): done 130 out of 201 progress: 64.7%
ccsd(t): done 131 out of 201 progress: 65.2%
ccsd(t): done 132 out of 201 progress: 65.7%
ccsd(t): done 133 out of 201 progress: 66.2%
ccsd(t): done 134 out of 201 progress: 66.7%
ccsd(t): done 135 out of 201 progress: 67.2%
ccsd(t): done 136 out of 201 progress: 67.7%
ccsd(t): done 137 out of 201 progress: 68.2%
ccsd(t): done 138 out of 201 progress: 68.7%
ccsd(t): done 139 out of 201 progress: 69.2%
ccsd(t): done 140 out of 201 progress: 69.7%
ccsd(t): done 141 out of 201 progress: 70.1%
ccsd(t): done 142 out of 201 progress: 70.6%
ccsd(t): done 143 out of 201 progress: 71.1%
ccsd(t): done 144 out of 201 progress: 71.6%
ccsd(t): done 145 out of 201 progress: 72.1%
ccsd(t): done 146 out of 201 progress: 72.6%
ccsd(t): done 147 out of 201 progress: 73.1%
ccsd(t): done 148 out of 201 progress: 73.6%
ccsd(t): done 149 out of 201 progress: 74.1%
ccsd(t): done 150 out of 201 progress: 74.6%
ccsd(t): done 151 out of 201 progress: 75.1%
ccsd(t): done 152 out of 201 progress: 75.6%
ccsd(t): done 153 out of 201 progress: 76.1%
ccsd(t): done 154 out of 201 progress: 76.6%
ccsd(t): done 155 out of 201 progress: 77.1%
ccsd(t): done 156 out of 201 progress: 77.6%
ccsd(t): done 157 out of 201 progress: 78.1%
ccsd(t): done 158 out of 201 progress: 78.6%
ccsd(t): done 159 out of 201 progress: 79.1%
ccsd(t): done 160 out of 201 progress: 79.6%
ccsd(t): done 161 out of 201 progress: 80.1%
ccsd(t): done 162 out of 201 progress: 80.6%
ccsd(t): done 163 out of 201 progress: 81.1%
ccsd(t): done 164 out of 201 progress: 81.6%
ccsd(t): done 165 out of 201 progress: 82.1%
ccsd(t): done 166 out of 201 progress: 82.6%
ccsd(t): done 167 out of 201 progress: 83.1%
ccsd(t): done 168 out of 201 progress: 83.6%
ccsd(t): done 169 out of 201 progress: 84.1%
ccsd(t): done 170 out of 201 progress: 84.6%
ccsd(t): done 171 out of 201 progress: 85.1%
ccsd(t): done 172 out of 201 progress: 85.6%
ccsd(t): done 173 out of 201 progress: 86.1%
ccsd(t): done 174 out of 201 progress: 86.6%
ccsd(t): done 175 out of 201 progress: 87.1%
ccsd(t): done 176 out of 201 progress: 87.6%
ccsd(t): done 177 out of 201 progress: 88.1%
ccsd(t): done 178 out of 201 progress: 88.6%
ccsd(t): done 179 out of 201 progress: 89.1%
ccsd(t): done 180 out of 201 progress: 89.6%
ccsd(t): done 181 out of 201 progress: 90.0%
ccsd(t): done 182 out of 201 progress: 90.5%
ccsd(t): done 183 out of 201 progress: 91.0%
ccsd(t): done 184 out of 201 progress: 91.5%
ccsd(t): done 185 out of 201 progress: 92.0%
ccsd(t): done 186 out of 201 progress: 92.5%
ccsd(t): done 187 out of 201 progress: 93.0%
ccsd(t): done 188 out of 201 progress: 93.5%
ccsd(t): done 189 out of 201 progress: 94.0%
ccsd(t): done 190 out of 201 progress: 94.5%
ccsd(t): done 191 out of 201 progress: 95.0%
ccsd(t): done 192 out of 201 progress: 95.5%
ccsd(t): done 193 out of 201 progress: 96.0%
ccsd(t): done 194 out of 201 progress: 96.5%
ccsd(t): done 195 out of 201 progress: 97.0%
ccsd(t): done 196 out of 201 progress: 97.5%
ccsd(t): done 197 out of 201 progress: 98.0%
ccsd(t): done 198 out of 201 progress: 98.5%
ccsd(t): done 199 out of 201 progress: 99.0%
ccsd(t): done 200 out of 201 progress: 99.5%
ccsd(t): done 201 out of 201 progress: 100.0%
...
|