_____ _____ _____ _ | | | |___ ___ ___ _| | | --| --| | | | . | _| -_| . | |_____|_____|_|_|_| _|_| |___|___| |_| 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: 102,037,406 ✓ Reweighted 379 sequences with threshold 0.8 to Beff=232.825 weight mean=0.614314, min=0.0666667, max=1 Will optimize 3981925 32-bit variables iter eval f(x) ║x║ ║g║ step 1 1 34780.2 10505 12205842 0.000259 2 1 32959.1 10508.9 9926822 0.000167 3 1 31157.1 10515.9 7789549 0.000145 4 1 29382.8 10527.2 5825142 0.000149 5 1 27640.3 10545.1 4203604 0.000175 6 1 25930.2 10573 3001854.5 0.000226 7 1 24258.7 10616.8 2132985.8 0.000309 8 1 22651.1 10685.9 1464527.1 0.000445 9 1 21173.7 10798.6 984256.56 0.000707 10 1 20017.7 11002 730471.25 0.00131 11 3 19699.5 11114.3 629444.12 0.00081 12 2 19511.7 11175 551126.38 0.000504 13 1 19315.7 11221.8 465452.38 0.000475 14 1 19117.5 11257.1 380818.66 0.000483 15 1 18922.4 11282.9 303443.09 0.000534 16 1 18737.3 11300.2 235325.72 0.000647 17 1 18578.7 11309.3 184510.88 0.000893 18 2 18502.9 11308.3 161933.19 0.000772 19 2 18461.2 11303 145096.42 0.000531 20 1 18420.4 11293.5 125237.95 0.000554 21 2 18396 11286.5 111548.12 0.000324 22 1 18370.3 11278.9 96255.312 0.00029 Done with status code 0 - Success! Final fx = 18344.171875 xnorm = 19.8912 Output can be found in 6DGN_B.ccmpred