Fortran runtime error: End of File in 3.1 do threading

Hi,
I encounter a Fortran runtime error in Step 3.1 which is probably the cause of failing steps further downstream in step 4.1. Please help me out here, thanks! The respective source code file is attached.

Best,
Christian

Your setting is:
-libdir =/home/schudoma/tools/I-TASSER/I-TASSER
-seqname =CSI2
-datadir =/home/schudoma/tools/I-TASSER/CSI2
-usrname =schudoma
-runstyle =serial
-homoflag =real
-idcut =1
-ntemp =20
-nmodel =5
1. make seq.txt and rmsinp
2.1 run Psi-blast
2.2 run psipred
2.3 run solve
2.3 run solve
2.4 run pairmod
2.4.1 removing homology templates based on real and 1
2.4.2 running pair ................
FORTRAN STOP
3.1 do threading
start threading QQQ
At line 522 of file zal33.f
Fortran runtime error: End of file
Illegal division by zero at /home/schudoma/tools/I-TASSER/CSI2/QQQ_CSI2 line 577.
hostname: atalante.mpimp-golm.mpg.de
starting time: Sun Feb 19 06:14:23 CET 2012
pwd: /tmp/schudoma/ITCSI2
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 threading GGGd
hostname: atalante.mpimp-golm.mpg.de
starting time: Sun Feb 19 07:17:17 CET 2012
pwd: /tmp/schudoma/ITCSI2
running zalign .....
ending time: Sun Feb 19 08:11:29 CET 2012
start threading GGGf
hostname: atalante.mpimp-golm.mpg.de
starting time: Sun Feb 19 08:11:32 CET 2012
pwd: /tmp/schudoma/ITCSI2
running zalign .....
ending time: Sun Feb 19 09:02:00 CET 2012
start threading NNNd
hostname: atalante.mpimp-golm.mpg.de
starting time: Sun Feb 19 09:02:03 CET 2012
pwd: /tmp/schudoma/ITCSI2
running zalign .....
ending time: Sun Feb 19 09:35:34 CET 2012
start threading SSSc
hostname: atalante.mpimp-golm.mpg.de
starting time: Sun Feb 19 09:35:36 CET 2012
pwd: /tmp/schudoma/ITCSI2
running zalign .....
ending time: Sun Feb 19 10:40:57 CET 2012
3.2 make restraints
4.1 run simulation
run 15 serial simulations
run simulation job 1 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 15 / 15
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0

Edited: Attached source code.

<please ignore this, I clicked the wrong link>

--nothing--

simulation

Only init.QQQ was not generated, but it didn't stop the program. It seems your simulation step 4.1 cannot run. Can you directly run one simulation job and see the error message?

Running 1 simulation manually

I hope that is what you meant with running one simulation job directly (s. output below). However, I'd like to point out that (as I already wrote in the original post) there is already an error in Step 3.1 (which crashes due to a zero-division). Given the error message "3.1 do threading
start threading QQQ
At line 522 of file zal33.f
Fortran runtime error: End of file
Illegal division by zero at /home/schudoma/tools/I-TASSER/CSI2/QQQ_CSI2 line 577.", I'd say that this is the reason why init.QQQ is not generated.

Best
Christian

===OUTPUT from running 1 simulation===
[schudoma@atalante CSI2]$ ./CSI2sim_1M
hostname: atalante.mpimp-golm.mpg.de
starting time: Fri Feb 24 12:44:42 CET 2012
pwd: /home/schudoma/tools/I-TASSER/CSI2
hostname: atalante.mpimp-golm.mpg.de
starting time: Fri Feb 24 12:44:44 CET 2012
pwd: /tmp/schudoma/CSI2sim_1M
starting time: Fri Feb 24 12:44:44 2012
bzip2: Can't open input file rep*.tra: No such file or directory.
ending time: Fri Feb 24 12:44:48 CET 2012

run one simulation job

1. modify the end part of CSI2sim_1M without remove the temporary directory.
2. run `./CSI2sim_1M` which will die quickly.
3. go to /tmp/schudoma/CSI2sim_1M and directly run `./cas_CSI2sim_1M`
You will find out what is the error. It is probably because some input file is missing.
Your init.QQQ cannot be generated because the exp.dat is wrong. Please compare the length of exp.dat with the sequence length.

Running 1 simulation manually - 2nd try

Ok, I did it as you specified.
I commented out the line "`rm -fr $work_dir`;" from CSI2sim_1M, then ran cas_CSI2sim_1M in workdir.
This directly resulted in a segfault:

[schudoma@atalante CSI2sim_1M]$ ./cas_CSI2sim_1M
starting time: Fri Mar 2 13:55:42 2012
Segmentation fault (core dumped)

exp.dat has 1872 rows of 1s and 0s (and the first value in the header row is 1872 as well). The length of the submitted sequence is 2150 amino acids - so I guess there is the problem... the question is, why are the remaining 278 aas left out?

Thanks for the help
Christian

Please check the threading results

Have you got exp.dat in the directory? Do all the init.* exist?

exp.dat and init.*

The directory contains an exp.dat, as well as
init.dat,
init.GGGd,
init.GGGf,
init.NNNd, and
init.SSSc,
which all appear to contain CA-coordinates in PDB format (except for exp.dat, which looks more like a binary matrix).