Hello, I have been trying to run phenix.mr_rosetta on a supercomputer where we are limited to 24h for parallel jobs and we have different queues for job mono. Thus to run we have two files. We do not really understand how the code proceeds with nproc so we just put 6 for now. When we sent it, it created 1000 jobs on MR_ROSETTA_1/GROUP_OF_PLACE_MODEL_1/RUN_1/GROUP_OF_ROSETTA_REBUILD_1/RUN_1/REBUILD_IN_SETS_1 it sent 10 jobs mono, but ran only 5 first than the other five. Then the job running the script hangs. when we looked at the log files in the MR_ROSETTA_1/GROUP_OF_PLACE_MODEL_1/RUN_1/GROUP_OF_ROSETTA_REBUILD_1/RUN_1/REBUILD_IN_SETS_1 directories it filled up only 4 if we re-run only 3 and never the same. do you have any idea what we're doing wrong? thanks in advance for your input Patricia Amara ps; Thus to run we have two files. One to send the script #!/bin/bash #MSUB -e ros1_%I.e #MSUB -o ros1_%I.o #MSUB -n 6 #MSUB -T 86400 cd /scratch/cont003/amara/Rosetta-NadA ./rosetta.run and the script itself: phenix.mr_rosetta \ seq_file=/scratch/cont003/amara/Rosetta-NadA/NADA.seq \ data=/scratch/cont003/amara/Rosetta-NadA/NadA-7-BM16-remote-no_ano-P21212-Rfree_shell.mtz \ search_models=/scratch/cont003/amara/Rosetta-NadA/model_2.pdb \ run_prerefine=True \ number_of_prerefine_models=1000 \ fragment_files = /scratch/cont003/amara/Rosetta-NadA/aat000_03_05.200_v1_3.gz \ fragment_files = /scratch/cont003/amara/Rosetta-NadA/aat000_09_05.200_v1_3.gz \ rescore_mr.relax=False \ rosetta_models=20 \ ncs_copies=3 \ space_group=p21212 \ use_all_plausible_sg=False \ max_wait_time=100 \ nproc=6 \ group_run_command= "/usr/share/lsf/7.0/linux2.6-glibc2.3-x86_64/bin/bsub -n 1 -q mono -W 03:00"