I-Tasser standalone issues

[siemieni]

I have downloaded the latest I-Tasser code and I am trying to install this on a Debian system (.Linux felix3 4.19.0-19-amd64 #1 SMP Debian 4.19.232-1 (2022-03-07) x86_64 GNU/Linux) I follow the download instructions and when I try to run the software on the example sequence I encounter some issues and never get a answer.

Issue 1:
start serial threading Env-PPAS
/tmp/siemieni/ITexample
/work/I-Tasser/I-TASSER5.1/example/Env-PPAS_example
At line 697 of file zal3.f
Fortran runtime error: No such file or directory
hostname: felix3
starting time: Wed 23 Mar 2022 03:46:00 PM EDT
pwd: /tmp/siemieni/ITexample
running zalign .....
ending time: Wed 23 Mar 2022 03:52:41 PM EDT

Is there a dependency I am missing on the FORTRAN side? Which file am I missing?

Issue 2:
start serial threading MUSTER
/tmp/siemieni/ITexample
/work/I-Tasser/I-TASSER5.1/example/MUSTER_example
Illegal division by zero at /work/I-Tasser/I-TASSER5.1/example/MUSTER_example line 599.
hostname: felix3
starting time: Wed 23 Mar 2022 03:52:42 PM EDT
pwd: /tmp/siemieni/ITexample
running Psi-blast .....
running zalign .....

Issue 3:
start serial threading wdPPAS
/tmp/siemieni/ITexample
/work/I-Tasser/I-TASSER5.1/example/wdPPAS_example
Exception in thread "main" java.io.FileNotFoundException: /database/ITLIB/DEP/7a4aA3.dep (No such file or directory)
at java.base/java.io.FileInputStream.open0(Native Method)
at java.base/java.io.FileInputStream.open(FileInputStream.java:219)
at java.base/java.io.FileInputStream.<init>(FileInputStream.java:157)
at java.base/java.io.FileInputStream.<init>(FileInputStream.java:112)
at java.base/java.io.FileReader.<init>(FileReader.java:60)
at c.a(c.java)
at c.main(c.java)
hostname: felix3
starting time: Wed 23 Mar 2022 04:05:33 PM EDT
pwd: /tmp/siemieni/ITexample
running Psi-blast .....
ending time: Wed 23 Mar 2022 04:22:38 PM EDT

Issue 4:
start serial threading wMUSTER
/tmp/siemieni/ITexample
/work/I-Tasser/I-TASSER5.1/example/wMUSTER_example
Exception in thread "main" java.io.FileNotFoundException: /database/ITLIB/DEP/7a4aA3.dep (No such file or directory)
at java.base/java.io.FileInputStream.open0(Native Method)
at java.base/java.io.FileInputStream.open(FileInputStream.java:219)
at java.base/java.io.FileInputStream.<init>(FileInputStream.java:157)
at java.base/java.io.FileInputStream.<init>(FileInputStream.java:112)
at java.base/java.io.FileReader.<init>(FileReader.java:60)
at e.a(e.java)
at e.main(e.java)
hostname: felix3
starting time: Wed 23 Mar 2022 04:22:39 PM EDT
pwd: /tmp/siemieni/ITexample
running Psi-blast .....
running Psi-blast .....
==>1rilA 1goaA 25.8700437963527 19.9705320411087
1rilA 1goaA 26.57 34.97
score_flag=2
ending time: Wed 23 Mar 2022 04:45:45 PM EDT

I have downloaded the database numerous times with your download_lib.pl code, after fixing the script as described in earlier posts..

Issue 5:
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 2 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 3 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 4 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 5 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 6 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 7 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 8 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 9 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 10 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 11 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 12 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 13 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
run simulation job 14 / 14
bzip2: Can't open input file rep*.tra: No such file or directory.
5.1 do clustering
No. of trajectory files: 0

I suspect this is due to earlier issues.

Any help would be deeply appreciated

Thank yo for your time,
Dave S.

[jlspzw]

Dear user,

Do you have the full running log and the commands?

Best

IT team

[jlspzw]

I doubt that some of the library files in ITLIBmay be missed. You may also try to re-download the library