QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Subha999 on May 4, 2022, 18:35

Title: Running error
Post by: Subha999 on May 4, 2022, 18:35

I have been getting this issue after so many trials.
How can I fix this problem?


------------------------------------------------------------------------------+
| Executing task 15 / 19:                                                      |
|   Hamiltonian calculation                                                    |
|   Atom index: 1                                                              |
|   Displacement direction: +y -y                                              |
|   Log to: hamiltonian_displacement_1_y.log                                   |
+------------------------------------------------------------------------------+

** Back Engine Exception : Column mismatch
** Location of Exception : sparsecsr.cpp:1701



===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   PID 45559 RUNNING AT iitpphyhpccn3.localdomain
=   EXIT CODE: 6
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
   Intel(R) MPI Library troubleshooting guide:
      https://software.intel.com/node/561764
===================================================================================

Title: Re: Running error
Post by: filipr on May 5, 2022, 15:54

Can you share the calculation script you are trying to run?

Title: Re: Running error
Post by: Subha999 on May 6, 2022, 07:16

Here, I have attached the original file.