_____ _____ _____ _ | | | |___ ___ ___ _| | | --| --| | | | . | _| -_| . | |_____|_____|_|_|_| _|_| |___|___| |_| 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: 1,805,217,928 ✓ Reweighted 2501 sequences with threshold 0.8 to Beff=1150.26 weight mean=0.459918, min=0.0208333, max=1 Will optimize 68466956 32-bit variables iter eval f(x) ║x║ ║g║ step 1 1 755577 103868 4.2069484e+09 1.31e-05 2 1 720875 103871 3.0737708e+09 9.89e-06 3 1 686580 103878 2.1871247e+09 9.89e-06 4 1 652967 103891 1.4768033e+09 1.16e-05 5 1 620290 103914 9.6332122e+08 1.56e-05 6 1 588576 103955 6.6990054e+08 2.33e-05 7 1 557414 104026 5.1887024e+08 3.45e-05 8 1 526712 104144 4.1202432e+08 4.68e-05 9 1 496925 104330 3.3773981e+08 6.26e-05 10 1 468744 104622 2.8427642e+08 8.36e-05 11 1 443832 105095 2.5232714e+08 0.000115 12 2 430527 105489 2.0588658e+08 8.61e-05 13 1 418348 105960 1.7560173e+08 0.000108 14 2 411294 106254 1.4510981e+08 7.3e-05 15 1 404048 106512 1.2342554e+08 7.65e-05 16 1 396808 106743 1.0418346e+08 8.15e-05 17 1 389838 106959 90070208 9.23e-05 18 1 383544 107175 83233024 0.000111 19 2 380039 107295 70559392 7.13e-05 20 1 376585 107390 60602736 7.71e-05 21 1 373361 107466 55234152 8.83e-05 22 2 371516 107497 46270872 5.32e-05 23 1 369637 107509 40061208 5.46e-05 24 1 367784 107507 33568484 5.71e-05 25 1 365984 107489 28988604 6.6e-05 26 1 364328 107455 28507020 7.85e-05 27 2 363405 107427 23234658 4.62e-05 28 1 362489 107392 21274318 5.16e-05 29 1 361603 107349 16944960 5.43e-05 30 1 360784 107295 17296760 7.04e-05 31 2 360324 107258 14282409 3.95e-05 Done with status code 0 - Success! Final fx = 359857.843750 xnorm = 41.3073 Output can be found in 6BS5_B.ccmpred