Dear I-TASSER developers,
Thanks much for the great software. We are trying to run I-TASSER5.1 on HPC cluster using slurm. We encounter a few issues:
1 We want to use shared public readable folder for the library. Because the folder is not writable by regular users, the software got permission error, like: cp: cannot stat ‘/shared_database/I-TASSERLib/PDB/list’: Permission denied
2 We have 32 CPUs on each computer on our cluster, but the software is only using one CPU. Is it possible to add an option to let user decide the number of CPU to use?
3 The sync command does not work well with our file system. If you can make sync optional, for example add an option in the command to disable it, it would be great. For now we created a script called sycn and put in the same folder as the software, so that the original sync command is overridden:
echo sleep 2 > I-TASSER5.1/sync; chmod +x I-TASSER5.1/sync
Please suggest.
Best,
ldong