CCL:G: Process number 3 did not complete successfully.
- From: "Alex Rudn" <rudikk99(!)yahoo.com>
- Subject: CCL:G: Process number 3 did not complete
successfully.
- Date: Tue, 24 Mar 2009 09:01:43 -0400
Sent to CCL by: "Alex Rudn" [rudikk99!=!yahoo.com]
Dear all,
I keep getting the same type of error, submitting my jobs on cluster, I have a
feeling that this is something specific for that machine because i run one of
the file - with the very same input file on my laptop and it works. Any
suggestions how to avoid this error are welcome.
###############
###submission:
################
I have 2 scripts one called asub and the other asub_script
asub:
#!/bin/tcsh
# constants
set SCRIPTFILE=asub_script
set BSUBCALLBASE='bsub -M 104000 -q'
set BSUBQUEUEPRODUCTION=p4-mp4
set BSUBQUEUETEST=p4-short
# uncomment this line if testing
#set BSUBQUEUE=$BSUBQUEUETEST
# uncomment this line if running in production
set BSUBQUEUE=$BSUBQUEUEPRODUCTION
echo submitting: $BSUBCALLBASE $BSUBQUEUE $SCRIPTFILE
# submit the job
$BSUBCALLBASE $BSUBQUEUE $SCRIPTFILE
######################
and asub_script:
#!/bin/tcsh
# constants
set WORKDIR=`pwd`
echo workdir: $WORKDIR
set INEXTENSION=.gjf
echo inextension: $INEXTENSION
set OUTEXTENSION=.out
echo outextension: $OUTEXTENSION
# create a working area in local scratch space
set SCRATCHDIR=/scratch/$USER
mkdir -p $SCRATCHDIR
#copy all the source input files to the scratch directory, overwriting
cp -f *$INEXTENSION $SCRATCHDIR/
#go to the scratch directory
cd $SCRATCHDIR
#loop through the source input files
#can also be hardcoded as 'foreach INPUTFILE (*.gjf)'
foreach INPUTFILE (`ls *$INEXTENSION`)
echo inputfile: $INPUTFILE
set OUTPUTBASE=`basename $INPUTFILE $INEXTENSION`
echo outputbase: $OUTPUTBASE
set INPUT=$WORKDIR/$INPUTFILE
echo input: $INPUT
set OUTPUT=$WORKDIR/$OUTPUTBASE$OUTEXTENSION
echo output: $OUTPUT
# invoke gaussian (either g98 or g03)
g98 <$INPUT>$OUTPUT
# print message
echo output is in /`hostname -s`$SCRATCHDIR
end
###############
###input:
###############
%chk=1_C6H5NH2.chk
%mem=26MW
%nproc=4
# opt=calcfc rb3lyp/6-31+g(d) freq=noraman
Title Card Required
0 1
Geometry
###############
###error msg:
###############
There are 353 symmetry adapted basis functions of A symmetry.
Crude estimate of integral set expansion from redundant integrals=1.000.
Integral buffers will be 262144 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
353 basis functions 604 primitive gaussians
60 alpha electrons 60 beta electrons
nuclear repulsion energy 1109.3846698641 Hartrees.
One-electron integrals computed using PRISM.
Fell through 180 loop in KntVR1.
Error termination via Lnk1e in /usr/local/apps/gaussian-98/g98/l302.exe.
Job cpu time: 0 days 0 hours 0 minutes .0 seconds.
File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 8 Scr= 1
Process number 3 did not complete successfully.
Error termination via Lnk1e in /usr/local/apps/gaussian-98/g98/l302.exe.
Job cpu time: 0 days 0 hours 0 minutes 1.4 seconds.
File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 8 Scr= 1