Warning: no access to tty (Bad file descriptor). Thus no job control in this shell. module: Command not found. ja cd /usr/users/0/nigra/amber source /usr/share/modules/init/csh if ( 1 ) then set modules_shell=tcsh else if ( 1 ) then setenv MODULE_VERSION_STACK 3.1.6 else set exec_prefix=/usr if ( 0 ) then if ( 0 ) then alias module eval `/usr/bin/modulecmd tcsh !*` endif endif unset exec_prefix setenv MODULESHOME /usr/share/modules if ( ! 1 ) then if ( ! 1 ) then 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/10.1.008/bin:/opt/intel/cc/10.1.008/bin:/opt/intel/idb/10.1.008/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 amber/10` /usr/bin/modulecmd tcsh load amber/10 setenv AMBER10 /usr/local/packages/AMBER10 setenv PATH /usr/local/packages/AMBER10:/opt/intel/fc/10.1.008/bin:/opt/intel/cc/10.1.008/bin:/opt/intel/idb/10.1.008/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/10.1.008:/usr/local/opt/modulefiles/ifort/10.1.008:/usr/local/opt/modulefiles/imkl/10.0.3.020:/usr/local/opt/modulefiles/amber/10 setenv LOADEDMODULES psc_path/1.0:torque/2.3.0:icc/10.1.008:ifort/10.1.008:imkl/10.0.3.020:amber/10 mpirun -np 8 pmemd -p prmtop -c inpcrd -i mdin -O ja -cshlt 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) 07:05:53 10/10/2008 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 07:05:53 0.01 0.00 0.00 0.00 0.00 0.00 3.00 0.018 0.000 18 4 2144 5856 0 0 0.00 modulecmd 07:05:53 0.07 0.05 0.00 0.00 0.00 0.00 0.88 0.138 0.000 80 2 5008 8192 0 0 0.00 36789.tg-login1 07:05:53 0.07 0.00 0.00 0.00 0.00 0.00 0.01 0.000 0.000 0 0 1984 7008 0 0 F 0.00 awk 07:05:53 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.104 0.000 18 1 2416 5968 0 0 0.00 expr 07:05:53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.004 0.000 9 1 1472 4544 0 0 0.00 echo 07:05:53 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.004 0.000 8 1 1456 4528 0 0 0.00 psc-config 07:05:53 0.03 0.00 0.01 0.00 0.00 0.00 5.88 0.010 0.000 24 1 3312 7184 0 0 0.00 36789.tg-login1 07:05:53 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.000 0.000 0 0 1968 7008 0 0 F 0.00 modulecmd 07:05:53 0.02 0.01 0.00 0.00 0.00 0.00 2.03 0.048 0.001 26 2 3600 6784 0 0 0.00 36789.tg-login1 07:05:53 0.02 0.00 0.00 0.00 0.00 0.00 0.01 0.000 0.000 0 0 1968 7008 0 0 F 0.00 pmemd 07:05:54 202.39 201.10 0.23 0.02 0.03 0.00 0.21 0.007 0.074 26 43 78448 32376736 0 0 F 0.00 pmemd 07:05:54 202.39 201.12 0.21 0.01 0.03 0.00 0.36 0.007 0.074 26 43 78368 32376752 0 0 F 0.00 pmemd 07:05:54 202.39 201.12 0.22 0.04 0.03 0.00 0.31 0.007 0.076 26 43 78576 32376752 0 0 F 0.00 pmemd 07:05:54 202.39 200.87 0.19 0.29 0.03 0.00 0.21 0.007 0.064 26 43 78848 32376736 0 0 F 0.00 pmemd 07:05:54 202.39 201.09 0.22 0.02 0.03 0.00 0.25 0.007 0.064 26 43 78832 32376912 0 0 F 0.00 pmemd 07:05:54 202.39 201.08 0.24 0.00 0.03 0.00 0.14 0.007 0.064 26 43 78960 32376960 0 0 F 0.00 pmemd 07:05:54 202.39 201.14 0.17 0.02 0.03 0.00 0.06 0.007 0.064 26 43 78480 32376736 0 0 F 0.00 pmemd 07:05:54 202.46 199.79 1.46 0.04 0.19 0.00 0.42 25.558 6.427 1678 91484 69216 32376976 0 0 F 0.00 pmemd 07:05:54 202.61 0.02 0.03 0.12 0.03 0.00 1281.24 0.686 0.000 659 76 13264 32321840 0 0 0.00 mpirun 07:05:54 202.67 0.02 0.02 0.00 0.00 0.00 4.04 2.665 0.001 228 24 3376 6864 0 0 0.00 Job CSA Accounting - Summary Report ==================================== Job Accounting File Name : /tmp/.jacctb680a8700000076e 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 : 0xb680a8700000076e Report Starts : 10/10/08 07:05:53 Report Ends : 10/10/08 07:09:16 Elapsed Time : 203 Seconds User CPU Time : 1607.4480 Seconds System CPU Time : 3.0100 Seconds CPU Time Core Memory Integral : 127.7868 Mbyte-seconds CPU Time Virtual Memory Integral : 327.5215 Mbyte-seconds Maximum Core Memory Used : 77.1094 Mbytes Maximum Virtual Memory Used : 31618.1406 Mbytes Characters Read : 29.2843 Mbytes Characters Written : 6.9076 Mbytes Logical I/O Read Requests : 2930 Logical I/O Write Requests : 91897 CPU Delay : 0.5480 Seconds Block I/O Delay : 0.4385 Seconds Swap In Delay : 0.0000 Seconds Number of Commands : 20 System Billing Units : 0.0000