Ending job conformer9 for s48_S2XC12H25 (run time: 0:55:14)
Currently running jobs:
{'s45_S3XC12H25': ['composite_a60754'], 's48_S2XC12H25': ['conformer6']}
Ending job conformer6 for s48_S2XC12H25 (run time: 1:00:11)
Warning: Conformer 6 for s48_S2XC12H25 did not converge.
Running local queue job conformer6 (a60755) using gaussian for s48_S2XC12H25
Conformer jobs for s48_S2XC12H25 successfully terminated.
Most stable conformer for species s48_S2XC12H25 was found to be isomorphic with the 2D graph representation CC[CH]CCCCCCCCC
Conformer number 7 for species s48_S2XC12H25 is used for geometry optimization.
Running local queue job composite_a60756 using gaussian for s48_S2XC12H25 (fine opt)
Currently running jobs:
{'s45_S3XC12H25': ['composite_a60754'],
's48_S2XC12H25': ['conformer6', 'composite_a60756']}
Ending job conformer6 for s48_S2XC12H25 (run time: 1:00:00)
Warning: Conformer 6 for s48_S2XC12H25 did not converge.
Conformer jobs for s48_S2XC12H25 successfully terminated.
Most stable conformer for species s48_S2XC12H25 was found to be isomorphic with the 2D graph representation CC[CH]CCCCCCCCC
Conformer number 7 for species s48_S2XC12H25 is used for geometry optimization.
Running local queue job composite_a60757 using gaussian for s48_S2XC12H25 (fine opt)
Currently running jobs:
{'s45_S3XC12H25': ['composite_a60754'],
's48_S2XC12H25': ['composite_a60756', 'composite_a60757']}
It ends with two running composite jobs for species s48_S2XC12H25.
Describe the bug I got the following log:
It ends with two running composite jobs for species
s48_S2XC12H25
.How to reproduce run this:
Expected behavior Only one composite job should run at a time per species