cd /home/medea/MD/TaskServer/Tasks/localhost-32000-task00513 source /home/medea/MD/bin/generic/TaskServer.kit source /home/medea/MD/bin/generic/tcllib.kit lappend auto_path /home/medea/MD/TaskServer/Tools namespace eval ::task {variable id 513.localhost-32000} namespace eval ::JobServer {variable JobServer http://localhost:32000} namespace eval ::TaskServer {variable InstallDir /home/medea/MD} array set Options {finishedtasks {} -remote 0 -ntasks 1 -id http://localhost:23000/taskserver -port 23000 wd /home/medea/MD/TaskServer -batch_queue {} -delay 0 interval 60 -core_limit_type 0 -machines {} -ruser {} -rdir {} -css {SmallFontSizePixels 14 FontFamily {"Palatino Linotype", "Book Antiqua", "Palatino", "Georgia", "serif"} BannerHighlightColor #A0B01E AdminBannerColor #0A4A54 BackgroundColor #FFFFFF AdminHighlightColor #3B8993 SmallestFontSizePixels 12 BannerColor #202020 FontColor #202020 TableColor #202020 TaskServerBannerColor #3D2527 FontSizePixels 16} tasks {} InstallDir /home/medea/MD -control_type 0 -path {} -queue_type direct -batch_project {} -usehttps 0 -displayloglevel notice -rhost {} -rwdir {} -nprocessors 32 -webmaster Support@MaterialsDesign.com -type {} -loglevel notice} set Options(taskdir) /home/medea/MD/TaskServer/Tasks/localhost-32000-task00513 set Options(-nprocessors) 32 # # The MedeA environment # set ::MedeA::platform Linux-x86_64 set ::MDPriv {path /home/medea/MD/TaskServer logfile /home/medea/MD/TaskServer/logs/localhost.log} array set ::MedeA::Directory {bin /home/medea/MD/bin/Linux-x86_64 TaskServer /home/medea/MD/bin/generic/TaskServer.kit tcllib /home/medea/MD/bin/generic/tcllib.kit wd /home/medea/MD/TaskServer generic /home/medea/MD/bin/generic mpibin /home/medea/MD/bin/Linux-x86_64/*/bin data /home/medea/MD/data medealib /home/medea/MD/bin/generic/MedeALib.kit root /home/medea/MD MedeA /home/medea/MD binarylib /home/medea/MD/bin/Linux-x86_64/Linux-x86_64.kit forcefields /home/medea/MD/data/Forcefields} namespace eval job { variable id 515 variable url http://localhost:32000 variable dir /home/medea/MD/Jobs/dir500/515 variable useSecurity 0 } if {[catch { ::JobServer::listFiles } msg]} { puts "Cannot load JobServer::listFiles -- $msg" proc ::JobServer::listFiles {} { puts "\nFiles:" foreach file [lsort [glob -nocomplain *]] { if {[catch {file mtime $file} T]} { set T "--- -- --:--:--" } else { set T [clock format $T -format "%b %d %T"] } puts [format "%15d %s %s" [file size $file] $T $file] } puts "" } ::JobServer::listFiles } if {[catch { puts "Starting LAMMPS at [clock format [clock seconds]]" package require LAMMPS 3.0 ::LAMMPS::execute -out LAMMPS.out puts "Finished LAMMPS [clock format [clock seconds]]" ::JobServer::listFiles } msg]} { puts "Error executing LAMMPS [clock format [clock seconds]]: $msg\n\n$::errorInfo" global errorInfo puts "" puts $errorInfo ::JobServer::listFiles return } # Temporarily delete WAVECAR until Job server changes propagate through if {[file exists VASP_WAVECAR.txt] && [file exists WAVECAR]} { file delete -force WAVECAR } exit