[DEFAULT] # RE Manager settings re_agent: $(HOME)/src/REMDgManager/bigjob/advert_launcher.sh arguments: NPT.conf total_number_replica: 4 number_of_mpi_processes : 16 exchange_count : 2 stage_in_file : 310K-init.coor 310K-init.xsc NPT.conf parm99bs0_all.prm sbox_init.pdb sbox_init.psf temperature : 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 advert_host : fortytwo.cct.lsu.edu cpr: False scp: False glide_in: True adaptive_sampling: False adaptive_replica_size: True [QB] host: qb1.loni.org gridftp_url: qb1.loni.org scheduler: pbs number_glide_in: 2 number_nodes: 64 executable: /usr/local/packages/namd-2.6-mvapich-1.0-intel10.1/namd2 jobtype: mpi working_dir_root: /work/luckow/replica/ allocation: loni_jha_big queue: workq userproxy: #[ABE] #host: grid-abe.ncsa.teragrid.org #gridftp_url: gridftp-abe.ncsa.teragrid.org #scheduler: pbs #number_glide_in: 1 #total_number_nodes: 64 #executable: /u/ac/jphillip/NAMD_2.6_Linux-amd64-MPI/namd2 #jobtype: mpi ##working_dirs: %(working_dir_root)s/9 %(working_dir_root)s/10 %(working_dir_root)s/11 %(working_dir_root)s/12 #working_dir_root: /cfs/scratch/users/yye00/replica/ #allocation: TG-MCA02N014 #queue: normal #userproxy: # #[RANGER] #host: ranger.tacc.teragrid.org #gridftp_host: ranger.tacc.teragrid.org #scheduler: sge #number_glide_in: 1 #total_number_nodes = 64 ##working_dirs = %(working_dir_root)s/13 %(working_dir_root)s/14 %(working_dir_root)s/15 %(working_dir_root)s/16 #working_dir_root = /work/00045/tg457066/replica/ #executable = /share/home/00288/tg455591/Linux-amd64-MVAPICH-icc/namd2 #jobtype: mpi #allocation: TG-MCA02N014 #queue: normal #userproxy: