mpiexec -np 32 $ROSETTA3/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa lig.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (11) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (11) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (14) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (19) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (19) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (21) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (21) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (14) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (10) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (10) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (7) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (20) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (7) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (20) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (2) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (6) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (6) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (2) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (18) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (18) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (8) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (8) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (5) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (5) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (13) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (13) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (1) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (1) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (16) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (3) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (16) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (3) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (9) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (9) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (15) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (15) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (4) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (4) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (23) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (23) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (12) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (12) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (22) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (22) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (0) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (0) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (20) 'RNG device' seed mode, using '/dev/urandom', seed=2127513134 seed_offset=0 real_seed=-1410523148 core.init.random: (20) RandomGenerator:init: Normal mode, seed=-1410523148 RG_type=mt19937 core.init: (20) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (6) 'RNG device' seed mode, using '/dev/urandom', seed=1047166839 seed_offset=0 real_seed=-1410523162 core.init.random: (6) RandomGenerator:init: Normal mode, seed=-1410523162 RG_type=mt19937 core.init: (6) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (18) 'RNG device' seed mode, using '/dev/urandom', seed=458745578 seed_offset=0 real_seed=-1410523150 core.init.random: (18) RandomGenerator:init: Normal mode, seed=-1410523150 RG_type=mt19937 core.init: (18) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (3) 'RNG device' seed mode, using '/dev/urandom', seed=1564557681 seed_offset=0 real_seed=-1410523165 core.init.random: (3) RandomGenerator:init: Normal mode, seed=-1410523165 RG_type=mt19937 core.init: (3) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (5) 'RNG device' seed mode, using '/dev/urandom', seed=-922441732 seed_offset=0 real_seed=-1410523163 core.init.random: (5) RandomGenerator:init: Normal mode, seed=-1410523163 RG_type=mt19937 core.init: (5) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (1) 'RNG device' seed mode, using '/dev/urandom', seed=-1112009600 seed_offset=0 real_seed=-1410523167 core.init.random: (1) RandomGenerator:init: Normal mode, seed=-1410523167 RG_type=mt19937 core.init: (1) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (2) 'RNG device' seed mode, using '/dev/urandom', seed=-1505034807 seed_offset=0 real_seed=-1410523166 core.init.random: (2) RandomGenerator:init: Normal mode, seed=-1410523166 RG_type=mt19937 core.init: (21) 'RNG device' seed mode, using '/dev/urandom', seed=-1851355178 seed_offset=0 real_seed=-1410523147 core.init.random: (21) RandomGenerator:init: Normal mode, seed=-1410523147 RG_type=mt19937 core.init: (21) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (7) 'RNG device' seed mode, using '/dev/urandom', seed=-2074094490 seed_offset=0 real_seed=-1410523161 core.init.random: (7) RandomGenerator:init: Normal mode, seed=-1410523161 RG_type=mt19937 core.init: (7) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (19) 'RNG device' seed mode, using '/dev/urandom', seed=-1579002340 seed_offset=0 real_seed=-1410523149 core.init.random: (19) RandomGenerator:init: Normal mode, seed=-1410523149 RG_type=mt19937 core.init: (19) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (4) 'RNG device' seed mode, using '/dev/urandom', seed=-1707095845 seed_offset=0 real_seed=-1410523164 core.init.random: (4) RandomGenerator:init: Normal mode, seed=-1410523164 RG_type=mt19937 core.init: (4) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (0) 'RNG device' seed mode, using '/dev/urandom', seed=-1410523168 seed_offset=0 real_seed=-1410523168 core.init.random: (0) RandomGenerator:init: Normal mode, seed=-1410523168 RG_type=mt19937 core.init: (0) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (22) 'RNG device' seed mode, using '/dev/urandom', seed=2009394297 seed_offset=0 real_seed=-1410523146 core.init.random: (22) RandomGenerator:init: Normal mode, seed=-1410523146 RG_type=mt19937 core.init: (22) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (16) 'RNG device' seed mode, using '/dev/urandom', seed=-1499654916 seed_offset=0 real_seed=-1410523152 core.init.random: (16) RandomGenerator:init: Normal mode, seed=-1410523152 RG_type=mt19937 core.init: (16) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (23) 'RNG device' seed mode, using '/dev/urandom', seed=1337396725 seed_offset=0 real_seed=-1410523145 core.init.random: (23) RandomGenerator:init: Normal mode, seed=-1410523145 RG_type=mt19937 core.init: (23) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (2) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (17) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (17) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (17) 'RNG device' seed mode, using '/dev/urandom', seed=326974550 seed_offset=0 real_seed=-1410523151 core.init.random: (17) RandomGenerator:init: Normal mode, seed=-1410523151 RG_type=mt19937 core.init: (17) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (24) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (24) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (25) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (13) 'RNG device' seed mode, using '/dev/urandom', seed=1784008880 seed_offset=0 real_seed=-1410523155 core.init.random: (13) RandomGenerator:init: Normal mode, seed=-1410523155 RG_type=mt19937 core.init: (15) 'RNG device' seed mode, using '/dev/urandom', seed=1263024808 seed_offset=0 real_seed=-1410523153 core.init.random: (15) RandomGenerator:init: Normal mode, seed=-1410523153 RG_type=mt19937 core.init: (11) 'RNG device' seed mode, using '/dev/urandom', seed=-690027266 seed_offset=0 real_seed=-1410523157 core.init.random: (11) RandomGenerator:init: Normal mode, seed=-1410523157 RG_type=mt19937 core.init: (27) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (27) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (13) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (8) 'RNG device' seed mode, using '/dev/urandom', seed=239115489 seed_offset=0 real_seed=-1410523160 core.init.random: (8) RandomGenerator:init: Normal mode, seed=-1410523160 RG_type=mt19937 core.init: (15) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (12) 'RNG device' seed mode, using '/dev/urandom', seed=-2076429532 seed_offset=0 real_seed=-1410523156 core.init.random: (12) RandomGenerator:init: Normal mode, seed=-1410523156 RG_type=mt19937 core.init: (28) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (28) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (11) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (12) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (10) 'RNG device' seed mode, using '/dev/urandom', seed=1479147916 seed_offset=0 real_seed=-1410523158 core.init.random: (10) RandomGenerator:init: Normal mode, seed=-1410523158 RG_type=mt19937 core.init: (10) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (8) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (29) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (29) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (30) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (30) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (31) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (31) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (26) Rosetta version unknown:exported from http://www.rosettacommons.org core.init: (26) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (25) command: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/bin/select_best_unique_ligand_poses.mpi.linuxiccrelease -in:file:silent output.silent.o -in:file:extra_res_fa Cisa.params -out:pdb -docking:ligand:max_poses 10 -docking:ligand:min_rms 2 -docking:ligand:subset_to_keep 100 core.init: (31) 'RNG device' seed mode, using '/dev/urandom', seed=283464030 seed_offset=0 real_seed=-1410523137 core.init.random: (31) RandomGenerator:init: Normal mode, seed=-1410523137 RG_type=mt19937 core.init: (27) 'RNG device' seed mode, using '/dev/urandom', seed=1719033615 seed_offset=0 real_seed=-1410523141 core.init.random: (27) RandomGenerator:init: Normal mode, seed=-1410523141 RG_type=mt19937 core.init: (29) 'RNG device' seed mode, using '/dev/urandom', seed=-477129575 seed_offset=0 real_seed=-1410523139 core.init.random: (29) RandomGenerator:init: Normal mode, seed=-1410523139 RG_type=mt19937 core.init: (24) 'RNG device' seed mode, using '/dev/urandom', seed=1405933282 seed_offset=0 real_seed=-1410523144 core.init.random: (24) RandomGenerator:init: Normal mode, seed=-1410523144 RG_type=mt19937 core.init: (24) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (26) 'RNG device' seed mode, using '/dev/urandom', seed=1664966005 seed_offset=0 real_seed=-1410523142 core.init.random: (26) RandomGenerator:init: Normal mode, seed=-1410523142 RG_type=mt19937 core.init: (26) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (31) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (28) 'RNG device' seed mode, using '/dev/urandom', seed=491017315 seed_offset=0 real_seed=-1410523140 core.init.random: (28) RandomGenerator:init: Normal mode, seed=-1410523140 RG_type=mt19937 core.init: (28) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (29) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (27) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (9) 'RNG device' seed mode, using '/dev/urandom', seed=1694617225 seed_offset=0 real_seed=-1410523159 core.init.random: (9) RandomGenerator:init: Normal mode, seed=-1410523159 RG_type=mt19937 core.init: (9) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (14) 'RNG device' seed mode, using '/dev/urandom', seed=-1988478405 seed_offset=0 real_seed=-1410523154 core.init: (25) 'RNG device' seed mode, using '/dev/urandom', seed=-35770184 seed_offset=0 real_seed=-1410523143 core.init.random: (25) RandomGenerator:init: Normal mode, seed=-1410523143 RG_type=mt19937 core.init: (25) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init: (30) 'RNG device' seed mode, using '/dev/urandom', seed=-903477313 seed_offset=0 real_seed=-1410523138 core.init.random: (30) RandomGenerator:init: Normal mode, seed=-1410523138 RG_type=mt19937 core.init: (30) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database core.init.random: (14) RandomGenerator:init: Normal mode, seed=-1410523154 RG_type=mt19937 core.init: (14) found database environment variable ROSETTA3_DB: /cvmfs/soft.computecanada.ca/easybuild/software/2017/avx2/MPI/intel2016.4/openmpi2.1/rosetta/3.8/database apps.public.ligand_dock.select_best_unique_ligand_poses: (27) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (29) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (25) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (31) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (28) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (24) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (26) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (18) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (20) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (12) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (14) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (2) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (22) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (10) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (5) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (8) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (16) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (19) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (0) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (11) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (17) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (1) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (7) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (15) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (13) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (6) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (9) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (3) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (21) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (23) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (4) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. apps.public.ligand_dock.select_best_unique_ligand_poses: (30) Turning off nstruct labeling on output. Explicitly set -out:no_nstruct_label false to override. core.io.silent.SilentFileData: (31) Reading all structures from output.silent.o core.io.silent.SilentFileData: (27) Reading all structures from output.silent.o core.io.silent.SilentFileData: (29) Reading all structures from output.silent.o core.io.silent.SilentFileData: (25) Reading all structures from output.silent.o core.io.silent.SilentFileData: (0) Reading all structures from output.silent.o core.io.silent.SilentFileData: (18) Reading all structures from output.silent.o core.io.silent.SilentFileData: (20) Reading all structures from output.silent.o core.io.silent.SilentFileData: (12) Reading all structures from output.silent.o core.io.silent.SilentFileData: (6) Reading all structures from output.silent.o core.io.silent.SilentFileData: (8) Reading all structures from output.silent.o core.io.silent.SilentFileData: (22) Reading all structures from output.silent.o core.io.silent.SilentFileData: (10) Reading all structures from output.silent.o core.io.silent.SilentFileData: (14) Reading all structures from output.silent.o core.io.silent.SilentFileData: (16) Reading all structures from output.silent.o core.io.silent.SilentFileData: (4) Reading all structures from output.silent.o core.io.silent.SilentFileData: (2) Reading all structures from output.silent.o core.io.silent.SilentFileData: (30) Reading all structures from output.silent.o core.io.silent.SilentFileData: (26) Reading all structures from output.silent.o core.io.silent.SilentFileData: (28) Reading all structures from output.silent.o core.io.silent.SilentFileData: (24) Reading all structures from output.silent.o core.io.silent.SilentFileData: (19) Reading all structures from output.silent.o core.io.silent.SilentFileData: (5) Reading all structures from output.silent.o core.io.silent.SilentFileData: (23) Reading all structures from output.silent.o core.io.silent.SilentFileData: (15) Reading all structures from output.silent.o core.io.silent.SilentFileData: (13) Reading all structures from output.silent.o core.io.silent.SilentFileData: (9) Reading all structures from output.silent.o core.io.silent.SilentFileData: (11) Reading all structures from output.silent.o core.io.silent.SilentFileData: (17) Reading all structures from output.silent.o core.io.silent.SilentFileData: (21) Reading all structures from output.silent.o core.io.silent.SilentFileData: (3) Reading all structures from output.silent.o core.io.silent.SilentFileData: (1) Reading all structures from output.silent.o core.io.silent.SilentFileData: (7) Reading all structures from output.silent.o -------------------------------------------------------------------------- mpiexec noticed that process rank 20 with PID 0 on node cdr476 exited on signal 9 (Killed).