Q. Why has my calculation been stopped?

A. Several factors could cause a calculation to stop. The reasons might include insufficient credits or subscription credits, input parameter errors, insufficient server storage, or insufficient memory.

1. Insufficient Credits or Subscription Credits:

  • Consider recharging your credits or upgrading your subscription plan to address this issue.

2. Input Parameters Errors:

  • Errors in input parameters could stop calculation. Review and possibly adjust your input parameters. Reducing the number of atoms, the number of K-points, or the cutoff energy might help. For assistance with input parameters, consider using a Support Plan.

3. Insufficient Server Storage:

  • The storage capacity allocated for a job is determined by the number of cores set by the user. If the required input/output (I/O) space exceeds this capacity, the calculation may stop. In this case, increase the number of cores to expand storage and then try recalculating.

4. Insufficient Memory:

  • Memory is also allocated based on the core count. If the job requires more RAM than allocated, the calculation could be stopped. To resolve this, increase the number of cores so that it is larger than the estimated RAM size indicated in the job.stdout file.

Please refer to the table below for memory and server storage capacities according to the number of cores.
Memory and Server Storage Capacity