Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.

DATE:       Wed Jun 10 11:03:51 2009
PBS JOB ID:           404002           $SCRATCH:             /scratcha/nigra

 'gamess/default' load complete.




set TARGET=cray-xt3

set CRAYARGS=" "
while ( `echo $1 | cut -c1 ` == "-" )
echo "CRAYARGS = $CRAYARGS"
CRAYARGS =  
set JOB = $1
set OUT = $2
echo "JOB = $JOB"
JOB = exam01
echo "OUT = $OUT"
OUT = exam01.out

set SCR=./








echo ----- GAMESS execution script -----
----- GAMESS execution script -----
set master=`hostname`
echo This job is running on host $master
This job is running on host tg-login4
echo under operating system `uname` at `date`
under operating system Linux at Wed Jun 10 11:03:52 EDT 2009
echo "Available scratch disk space (Kbyte units) at beginning of the job is"
Available scratch disk space (Kbyte units) at beginning of the job is
df $SCR
Filesystem           1K-blocks      Used Available Use% Mounted on
2576@ptl0:/mds-scratcha/client-scratcha
                     49047523824 25224252860 21365661108  55% /scratcha




setenv ERICFMT /usr/local/packages/GAMESS-4.2008/ericfmt.dat
setenv MCPPATH /usr/local/packages/GAMESS-4.2008/mcpdata
setenv EXTBAS /dev/null
setenv IRCDATA $SCR/$JOB.irc
setenv INPUT $SCR/$JOB.inp
setenv PUNCH $SCR/$JOB.dat
setenv AOINTS $SCR/$JOB.F08
setenv MOINTS $SCR/$JOB.F09
setenv DICTNRY $SCR/$JOB.F10
setenv DRTFILE $SCR/$JOB.F11
setenv CIVECTR $SCR/$JOB.F12
setenv CASINTS $SCR/$JOB.F13
setenv CIINTS $SCR/$JOB.F14
setenv WORK15 $SCR/$JOB.F15
setenv WORK16 $SCR/$JOB.F16
setenv CSFSAVE $SCR/$JOB.F17
setenv FOCKDER $SCR/$JOB.F18
setenv OVLPDER $SCR/$JOB.F19
setenv DASORT $SCR/$JOB.F20
setenv DFTINTS $SCR/$JOB.F21
setenv DFTGRID $SCR/$JOB.F22
setenv JKFILE $SCR/$JOB.F23
setenv ORDINT $SCR/$JOB.F24
setenv EFPIND $SCR/$JOB.F25
setenv PCMDATA $SCR/$JOB.F26
setenv PCMINTS $SCR/$JOB.F27
setenv MLTPL $SCR/$JOB.F28
setenv MLTPLT $SCR/$JOB.F29
setenv DAFL30 $SCR/$JOB.F30
setenv SOINTX $SCR/$JOB.F31
setenv SOINTY $SCR/$JOB.F32
setenv SOINTZ $SCR/$JOB.F33
setenv SORESC $SCR/$JOB.F34
setenv SIMEN $SCR/$JOB.simen
setenv SIMCOR $SCR/$JOB.simcor
setenv GCILIST $SCR/$JOB.F37
setenv CIMOHSS $SCR/$JOB.F38
setenv SOCCDAT $SCR/$JOB.F40
setenv AABB41 $SCR/$JOB.F41
setenv BBAA42 $SCR/$JOB.F42
setenv BBBB43 $SCR/$JOB.F43
setenv MCQD50 $SCR/$JOB.F50
setenv MCQD51 $SCR/$JOB.F51
setenv MCQD52 $SCR/$JOB.F52
setenv MCQD53 $SCR/$JOB.F53
setenv MCQD54 $SCR/$JOB.F54
setenv MCQD55 $SCR/$JOB.F55
setenv MCQD56 $SCR/$JOB.F56
setenv MCQD57 $SCR/$JOB.F57
setenv MCQD58 $SCR/$JOB.F58
setenv MCQD59 $SCR/$JOB.F59
setenv MCQD60 $SCR/$JOB.F60
setenv MCQD61 $SCR/$JOB.F61
setenv MCQD62 $SCR/$JOB.F62
setenv MCQD63 $SCR/$JOB.F63
setenv MCQD64 $SCR/$JOB.F64
setenv NMRINT1 $SCR/$JOB.F61
setenv NMRINT2 $SCR/$JOB.F62
setenv NMRINT3 $SCR/$JOB.F63
setenv NMRINT4 $SCR/$JOB.F64
setenv NMRINT5 $SCR/$JOB.F65
setenv NMRINT6 $SCR/$JOB.F66
setenv DCPHFH2 $SCR/$JOB.F67
setenv DCPHF21 $SCR/$JOB.F68
setenv GVVPT $SCR/$JOB.F69
setenv CCREST $SCR/$JOB.F70
setenv CCDIIS $SCR/$JOB.F71
setenv CCINTS $SCR/$JOB.F72
setenv CCT1AMP $SCR/$JOB.F73
setenv CCT2AMP $SCR/$JOB.F74
setenv CCT3AMP $SCR/$JOB.F75
setenv CCVM $SCR/$JOB.F76
setenv CCVE $SCR/$JOB.F77
setenv EOMSTAR $SCR/$JOB.F80
setenv EOMVEC1 $SCR/$JOB.F81
setenv EOMVEC2 $SCR/$JOB.F82
setenv EOMHC1 $SCR/$JOB.F83
setenv EOMHC2 $SCR/$JOB.F84
setenv EOMHHHH $SCR/$JOB.F85
setenv EOMPPPP $SCR/$JOB.F86
setenv EOMRAMP $SCR/$JOB.F87
setenv EOMRTMP $SCR/$JOB.F88
setenv EOMDG12 $SCR/$JOB.F89
setenv MMPP $SCR/$JOB.F90
setenv MMHPP $SCR/$JOB.F91

unset echo
setenv OLI201 $SCR/$JOB.F201
setenv OLI202 $SCR/$JOB.F202
setenv OLI203 $SCR/$JOB.F203
setenv OLI204 $SCR/$JOB.F204
setenv OLI205 $SCR/$JOB.F205
setenv OLI206 $SCR/$JOB.F206
setenv OLI207 $SCR/$JOB.F207
setenv OLI208 $SCR/$JOB.F208
setenv OLI209 $SCR/$JOB.F209
setenv OLI210 $SCR/$JOB.F210
setenv OLI211 $SCR/$JOB.F211
setenv OLI212 $SCR/$JOB.F212
setenv OLI213 $SCR/$JOB.F213
setenv OLI214 $SCR/$JOB.F214
setenv OLI215 $SCR/$JOB.F215
setenv OLI216 $SCR/$JOB.F216
setenv OLI217 $SCR/$JOB.F217
setenv OLI218 $SCR/$JOB.F218
setenv OLI219 $SCR/$JOB.F219
setenv OLI220 $SCR/$JOB.F220
setenv OLI221 $SCR/$JOB.F221
setenv OLI222 $SCR/$JOB.F222
setenv OLI223 $SCR/$JOB.F223
setenv OLI224 $SCR/$JOB.F224
setenv OLI225 $SCR/$JOB.F225
setenv OLI226 $SCR/$JOB.F226
setenv OLI227 $SCR/$JOB.F227
setenv OLI228 $SCR/$JOB.F228
setenv OLI229 $SCR/$JOB.F229
setenv OLI230 $SCR/$JOB.F230
setenv OLI231 $SCR/$JOB.F231
setenv OLI232 $SCR/$JOB.F232
setenv OLI233 $SCR/$JOB.F233
setenv OLI234 $SCR/$JOB.F234
setenv OLI235 $SCR/$JOB.F235
setenv OLI236 $SCR/$JOB.F236
setenv OLI237 $SCR/$JOB.F237
setenv OLI238 $SCR/$JOB.F238
setenv OLI239 $SCR/$JOB.F239

if ( ( -e $PUNCH ) || ( -e $IRCDATA ) ) then







































































set isShmem = `echo $CRAYARGS | grep shmem`
if ( "x$isShmem" == "x" ) then
set CRAYARGS = `echo $CRAYARGS -shmem=512M`
endif
pbsyod $CRAYARGS /usr/local/packages/GAMESS-4.2008/gamess.00.x $JOB > & $OUT

unset echo
endif




echo ----- accounting info -----
----- accounting info -----
date
Wed Jun 10 11:04:01 EDT 2009



echo Files used on the master node $master were:
Files used on the master node tg-login4 were:
ls -lF $SCR/$JOB.*
-rw-r--r--  1 nigra staff  180016 Jun 10 11:03 .//exam01.F08
-rw-r--r--  1 nigra staff  180016 Jun 10 11:03 .//exam01.F08.001
-rw-r--r--  1 nigra staff  180016 Jun 10 11:03 .//exam01.F08.002
-rw-r--r--  1 nigra staff  180016 Jun 10 11:03 .//exam01.F08.003
-rw-r--r--  1 nigra staff 1177920 Jun 10 11:03 .//exam01.F10
-rw-r--r--  1 nigra staff    1722 Jun 10 11:03 .//exam01.dat
-rw-r--r--  1 nigra staff    1092 Jun 10 11:03 .//exam01.inp
-rw-r--r--  1 nigra staff   23684 Jun 10 11:04 .//exam01.out















time
1.531u 0.271s 0:08.85 20.3%	0+0k 0+0io 1151pf+0w
exit