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thank you for your help

what I reported here the results on a single computer. I checked the steps on 3 different computers with 3 different versions 5.0, 5.1 and 5.2. always the same problems

Hello again

I think that the problem in runI-TASSER from line 1764 to 1823 # can't generat the trajectories file

Dear user,

Please send me the files in folder /tmp/root/examplesim_1A, if you change to account 'fakher', then send me the files in /tmp/fakher/examplesim_1A

Best
IT Team

Please find in attache file the fold

Dear user,

We have tested your examplesim_1A files, it seems to be no problem with the files itself.

Could you go to /tmp/fakher/examplesim_1A, and run ./cas_examplesim_1A and see what happen.

Thank you.

Best
IT Team

Hello

Dear user,

Here is the problem, it seems your system could not run the fortran program cas_xxx.

Based on your gfortan version, I think it should be OK with the program. However, would suggest you try to re-install gfortran to see if it can solve the problem.

Best
IT Taem

Hi

I have initially gfortran 9 and now according your last recommendations i have install gfortran 11

I reinstalled everything on my computer:

I started by reinstalling ubuntu 20.04 and 22.04.
I installed gfortran versions 9 and 11
I redownloaded I-TASSER5.2 and 5.1
I tried to do the simulation for the example

the conclusion: always the same initial message, it does not find the tra file

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.

note: all this work was carried out on two different computers

Dear user,

What I currently found is the package itself you install seems to not have any issue, and all files for the I-TASSER simulation are correctly generated. However, it seems your system has some problems running the folding simulation (cas_examplesim_1A) that is coded by Fortran. The case that cas_xxx program could not be run is very rare. We think it should be your operating system and environment that have some issues. Did you try the I-TASSER on the Linux subsystem in Windows? Have you ever tried a complete Linux system on a cluster (we would suggest you test on a Linux computer instead of a Windows one that has the Linux subsystem)?

Best
IT Team