_____ _____ _____ _ | | | |___ ___ ___ _| | | --| --| | | | . | _| -_| . | |_____|_____|_|_|_| _|_| |___|___| |_| Found 1 CUDA devices, using device #0: Quadro P6000 Total GPU RAM: 25,637,224,448 Free GPU RAM: 6,413,680,640 Needed GPU RAM: 658,958,304 ✓ Reweighted 2172 sequences with threshold 0.8 to Beff=1093.9 weight mean=0.503637, min=0.0192308, max=1 Will optimize 24152076 32-bit variables iter eval f(x) ║x║ ║g║ step 1 1 456612 50773.2 1.9998294e+09 1.98e-05 2 1 433251 50775.1 1.477888e+09 1.34e-05 3 1 410510 50780.4 1.0038123e+09 1.31e-05 4 1 388573 50791.6 6.3226074e+08 1.63e-05 5 1 367489 50813.5 3.9380378e+08 2.42e-05 6 1 347146 50855.1 2.6684922e+08 3.93e-05 7 1 327309 50931.1 2.1287466e+08 6.19e-05 8 1 307709 51061.1 1.7816141e+08 8.44e-05 9 1 288860 51269 1.3986861e+08 0.000109 10 1 272100 51603.6 1.2457934e+08 0.000155 11 2 262784 51882.6 1.1066786e+08 0.000113 12 1 253689 52200.4 88182056 0.000122 13 1 245282 52576.4 73028440 0.000156 14 2 240395 52808.5 61609560 0.000106 15 1 235446 53014 48604320 0.000108 16 1 230578 53203.2 40151816 0.000124 17 1 225891 53388.6 34503224 0.000147 18 1 221639 53585.8 31544598 0.000179 19 2 219270 53703 28191624 0.000117 20 1 216939 53805.3 23537232 0.000121 21 1 214755 53899.4 20391460 0.000142 22 2 213512 53944.8 17574860 8.99e-05 23 1 212259 53975.9 14397509 9.02e-05 24 1 211032 53995.3 11648857 0.000101 25 1 209884 54003.7 9583537 0.000123 26 1 208905 54000.6 9231826 0.000165 27 2 208400 53990.9 8391677 0.000116 28 2 208095 53980.7 7258662 6.68e-05 29 1 207777 53967.5 6002502 6.18e-05 30 1 207454 53951.2 4969689 6.33e-05 Done with status code 0 - Success! Final fx = 207132.343750 xnorm = 40.7089 Output can be found in 6DKA_I.ccmpred