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.