I have used I-TASSER as parallel which ended with an error. I have posted the error in the following topic and nobody answered.
http://zhanglab.ccmb.med.umich.edu/bbs/?q=node/3478
By the way, I ran I-TASSER as serial from the beginning and it ended with an error! I also increased simulation time to 400 but I-TASSER ignored!
....
2.1 run Psi-blast
2.2 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 ................
FORTRAN STOP
30000 6379375 total lib str & residues
number of observations 14.15487 8907549.
pair done
3.1 do threading
start serial threading PPAS
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/PPAS_seq
hostname: Gubuntu
starting time: Sun Sep 7 11:19:07 IRDT 2014
pwd: /tmp/arman/ITseq
running zalign .....
ending time: Sun Sep 7 12:16:49 IRDT 2014
start serial threading dPPAS
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/dPPAS_seq
hostname: Gubuntu
starting time: Sun Sep 7 12:16:54 IRDT 2014
pwd: /tmp/arman/ITseq
running zalign .....
ending time: Sun Sep 7 15:20:32 IRDT 2014
start serial threading dPPAS2
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/dPPAS2_seq
hostname: Gubuntu
starting time: Sun Sep 7 15:20:46 IRDT 2014
pwd: /tmp/arman/ITseq
running zalign .....
ending time: Sun Sep 7 18:15:11 IRDT 2014
start serial threading Env-PPAS
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/Env-PPAS_seq
hostname: Gubuntu
starting time: Sun Sep 7 18:15:30 IRDT 2014
pwd: /tmp/arman/ITseq
running zalign .....
ending time: Sun Sep 7 20:28:12 IRDT 2014
start serial threading MUSTER
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/MUSTER_seq
At line 522 of file zal33.f
Fortran runtime error: End of file
Illegal division by zero at /home/arman/Dropbox/4408-Shahrisa/IT400/MUSTER_seq line 599.
hostname: Gubuntu
starting time: Sun Sep 7 20:28:31 IRDT 2014
pwd: /tmp/arman/ITseq
running Psi-blast .....
running zalign .....
start serial threading wPPAS
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/wPPAS_seq
hostname: Gubuntu
starting time: Sun Sep 7 20:50:24 IRDT 2014
pwd: /tmp/arman/ITseq
running Psi-blast .....
ending time: Sun Sep 7 21:58:35 IRDT 2014
start serial threading wdPPAS
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/wdPPAS_seq
hostname: Gubuntu
starting time: Sun Sep 7 21:58:41 IRDT 2014
pwd: /tmp/arman/ITseq
running Psi-blast .....
ending time: Sun Sep 7 23:28:47 IRDT 2014
start serial threading wMUSTER
/tmp/arman/ITseq
/home/arman/Dropbox/4408-Shahrisa/IT400/wMUSTER_seq
hostname: Gubuntu
starting time: Sun Sep 7 23:28:53 IRDT 2014
pwd: /tmp/arman/ITseq
running Psi-blast .....
running Psi-blast .....
==>3nm8A 3nm8A 14.7987986686849 13.5743239771178
3nm8A 3nm8A 19.87 19.87
score_flag=1
ending time: Mon Sep 8 11:56:05 IRDT 2014
3.2 make restraints
without init: /home/arman/Dropbox/4408-Shahrisa/IT400/init.MUSTER
type= easy, n_good=35, M0= 7, M1_for_medm=1.4, n_sg= 7 role=SEQ
1 gap_terminal=N gap_location= 98 by dPPAS
2 gap_terminal=N gap_location= 98 by wdPPAS
3 gap_terminal=N gap_location= 99 by wMUSTER
4 gap_terminal=N gap_location= 98 by wPPAS
5 gap_terminal=N gap_location= 98 by dPPAS2
6 gap_terminal=N gap_location= 98 by PPAS
7 gap_terminal=N gap_location= 98 by Env-PPAS
8 gap_terminal=N gap_location=100 by dPPAS
9 gap_terminal=N gap_location=100 by dPPAS2
10 gap_terminal=N gap_location=100 by PPAS
11 gap_terminal=N gap_location=100 by Env-PPAS
domain2=yes
------ n_link_old= 98-------------
------ 2 domain proteins: 98-------------
type=easy----n_temp_use_for_restraints=20
4.1 run simulation
run 15 serial simulations
run simulation job 1 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 15 / 15
At line 1714 of file cas.f
Fortran runtime error: End of file
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0