Warning: no access to tty (Bad file descriptor). Thus no job control in this shell. module: Command not found. cd /usr/users/0/nigra/namd source /etc/profile.d/modules.csh if ( 1 ) then set modules_shell=tcsh else source /usr/share/modules/init/tcsh if ( 1 ) then setenv MODULE_VERSION_STACK 3.1.6 else set exec_prefix=/usr if ( 0 ) then alias module eval `/usr/bin/modulecmd tcsh !*` endif unset exec_prefix setenv MODULESHOME /usr/share/modules if ( ! 1 ) then if ( ! 1 ) then unset modules_shell source /etc/csh.cshrc.psc set autologout=1440 setenv MPI_DSM_DISTRIBUTE 1 setenv OMP_NUM_THREADS 1 eval `/usr/bin/modulecmd tcsh load psc_path torque icc ifort imkl` /usr/bin/modulecmd tcsh load psc_path torque icc ifort imkl setenv PATH /opt/intel/fc/10.1.015/bin:/opt/intel/cc/10.1.015/bin:/opt/intel/idb/10.1.015/bin:/usr/local/packages/torque/2.3.0/bin:/bin:/usr/bin:/usr/games:/opt/gnome/bin:/opt/kde3/bin:/usr/bin/X11:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/local/bin:/usr/local/packages/tg/bin:/usr/local/lustre_utils/default/bin:/usr/psc/bin eval `/usr/local/bin/psc-config -c` /usr/local/bin/psc-config -c setenv SCRATCH /bessemer/nigra limit stacksize unlimited eval `/usr/bin/modulecmd tcsh load namd/2.6` /usr/bin/modulecmd tcsh load namd/2.6 setenv PATH /usr/local/packages/NAMD2/2.6/:/opt/intel/fc/10.1.015/bin:/opt/intel/cc/10.1.015/bin:/opt/intel/idb/10.1.015/bin:/usr/local/packages/torque/2.3.0/bin:/bin:/usr/bin:/usr/games:/opt/gnome/bin:/opt/kde3/bin:/usr/bin/X11:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/local/bin:/usr/local/packages/tg/bin:/usr/local/lustre_utils/default/bin:/usr/psc/bin setenv _LMFILES_ /usr/local/opt/modulefiles/psc_path/1.0:/usr/local/opt/modulefiles/torque/2.3.0:/usr/local/opt/modulefiles/icc/10.1.015:/usr/local/opt/modulefiles/ifort/10.1.015:/usr/local/opt/modulefiles/imkl/10.0.2.018:/usr/local/opt/modulefiles/namd/2.6 setenv LOADEDMODULES psc_path/1.0:torque/2.3.0:icc/10.1.015:ifort/10.1.015:imkl/10.0.2.018:namd/2.6 ja mpirun -np 8 dplace -s1 namd2 alanin.namd MPI: dplace use detected, MPI_DSM_... environment variables ignored ja -chlst Job Accounting - Command Report =============================== Command Started Elapsed User CPU Sys CPU CPU Block I/O Swap In CPU MEM Characters Logical I/O CoreMem VirtMem Ex Name At Seconds Seconds Seconds Delay Secs Delay Secs Delay Secs Avg Mbytes Read Written Read Write HiValue HiValue St Ni Fl SBU's =============== ======== ========== ========== ========== ========== ========== ========== ========== ========= ========= ======== ======== ======== ======== === === == ======= # CFG ON( 1) ( 7) 16:14:03 06/18/2008 System: Linux pople4700.psc.teragrid.or 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC 2007 ia64 ja 16:14:03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.018 0.000 18 4 2144 5856 0 0 0.00 namd2 16:14:04 1.72 0.68 0.02 0.00 0.00 0.00 89.41 0.000 0.067 14 57 21360 32373312 0 0 F 0.00 namd2 16:14:04 1.73 0.70 0.01 0.00 0.00 0.00 73.05 0.000 0.067 14 57 20576 32373312 0 0 F 0.00 namd2 16:14:04 1.72 0.69 0.01 0.00 0.00 0.00 61.88 0.000 0.067 14 57 20848 32373312 0 0 F 0.00 namd2 16:14:04 1.73 0.70 0.01 0.00 0.00 0.00 73.06 0.000 0.067 14 57 20640 32373312 0 0 F 0.00 namd2 16:14:04 1.73 0.68 0.03 0.00 0.00 0.00 6.08 0.036 0.335 24 1277 22512 32373552 0 0 F 0.00 namd2 16:14:04 1.72 0.62 0.02 0.00 0.00 0.00 44.10 0.000 0.077 14 57 20592 32373312 0 0 F 0.00 namd2 16:14:04 1.72 0.62 0.02 0.01 0.00 0.00 31.08 0.000 0.077 14 57 20512 32373312 0 0 F 0.00 namd2 16:14:04 1.72 0.69 0.02 0.00 0.00 0.00 39.48 0.000 0.077 14 57 20528 32373312 0 0 F 0.00 namd2 16:14:04 1.83 0.03 0.10 0.05 0.00 0.00 411.81 0.770 0.279 1812 2414 14464 32333552 0 0 0.00 mpirun 16:14:04 1.88 0.03 0.07 0.00 0.00 0.00 6.35 2.417 0.258 3692 4759 2928 6656 0 0 0.00 Job CSA Accounting - Summary Report ==================================== Job Accounting File Name : /tmp/.jacctb680a87000000846 Operating System : Linux pople4700.psc.teragrid.or 2.6.16.46-0.12-default #1 SMP Thu May 17 14:00:09 UTC 2007 ia64 User Name (ID) : nigra (140) Group Name (ID) : staff (99) Project Name (ID) : ? (0) Job ID : 0xb680a87000000846 Report Starts : 06/18/08 16:14:03 Report Ends : 06/18/08 16:14:05 Elapsed Time : 2 Seconds User CPU Time : 5.4360 Seconds System CPU Time : 0.3200 Seconds CPU Time Core Memory Integral : 3.3646 Mbyte-seconds CPU Time Virtual Memory Integral : 341.8434 Mbyte-seconds Maximum Core Memory Used : 21.9844 Mbytes Maximum Virtual Memory Used : 31614.7969 Mbytes Characters Read : 3.2446 Mbytes Characters Written : 1.3733 Mbytes Logical I/O Read Requests : 5644 Logical I/O Write Requests : 8853 CPU Delay : 0.0640 Seconds Block I/O Delay : 0.0002 Seconds Swap In Delay : 0.0000 Seconds Number of Commands : 11 System Billing Units : 0.0000