Dear Zhang Lab Staff,
I am running I-TASSER 3.0 on a cluster in serial mode.
I submitted 12 jobs.
6 are still running (apparently) without any problem.
6 terminated before the simulation process with the error: "only 3 threading programs have output, please check threading programs"
I pasted below the output file of one of them.
Do you have any suggestion to solve this problem?
Thank you very much.
Best Regards,
Fabrizio
Your setting for I-TASSER is:
-pkgdir =/home/rcf-40/fg_001/cmb2/bin/itasser/I-TASSER3.0
-libdir =/home/rcf-40/fg_001/panfs/db/itasser/
-java_home =/usr
-seqname =seq.fasta
-datadir =/home/rcf-40/fg_001/panfs/protein/mus
-usrname =fg_001
-runstyle =serial
-homoflag =real
-idcut =1
-ntemp =20
-nmodel =1
-LBS =false
-EC =false
-GO =false
1. make seq.txt and rmsinp
2.1 run Psi-blast
predict secondary structure with PSSpred...
2.3 Predict solvent accessibility...
2.4 run pairmod
2.4.1 Use all templates
2.4.2 running pair ................
30000 6379375 total lib str & residues
number of observations 24.81588 1.9668772E+07
pair done
3.1 do threading
start serial threading PPAS
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/PPAS_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 22:43:05 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running zalign .....
ending time: Sat Oct 11 22:57:58 PDT 2014
start serial threading dPPAS
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/dPPAS_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 22:57:59 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running zalign .....
start serial threading dPPAS2
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/dPPAS2_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 22:58:04 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running zalign .....
start serial threading Env-PPAS
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/Env-PPAS_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 22:58:10 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running zalign .....
start serial threading MUSTER
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/MUSTER_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 22:58:16 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running Psi-blast .....
running zalign .....
./zalign 7.01 0.55 0.66 1.6 -0.99 0.31 0.19 0 1.0 0.39 0.19
start serial threading wPPAS
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/wPPAS_seq.fasta
hostname: hpc3343
starting time: Sat Oct 11 23:37:58 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running Psi-blast .....
start serial threading wdPPAS
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/wdPPAS_seq.fasta
hostname: hpc3343
starting time: Sun Oct 12 00:33:02 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running Psi-blast .....
ending time: Sun Oct 12 01:24:01 PDT 2014
start serial threading wMUSTER
/tmp/fg_001/ITseq.fasta
/home/rcf-40/fg_001/panfs/protein/mus/wMUSTER_seq.fasta
hostname: hpc3343
starting time: Sun Oct 12 01:24:03 PDT 2014
pwd: /tmp/fg_001/ITseq.fasta
running Psi-blast .....
running Psi-blast .....
==>1m56A 2yevA 32.9834188071364 32.8459123239649
1m56A 2yevA 55.06 38.91
score_flag=1
ending time: Sun Oct 12 02:36:55 PDT 2014
only 3 threading programs have output, please check threading programs