When I started to run the Quantum espresso Software, It says this error
MPI_ABORT was invoked on rank 6 in communicator MPI_COMM_WORLD
with errorcode 0.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 13991 on
node hydra exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
[hydra-of-solid-state:13978] 7 more processes have sent help message help-mpi-api.txt / mpi-abort
[hydra-of-solid-state:13978] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
/home/tikaram/QE/1st : done
How Can I solve this problem?
I hope this may be partial solution. You should properly install QE with mpi. Or use same mpi which you linked with QE application.
Hello Subrahmanyam,
Can you tell me how do I set same MPI. I have attached here my input file. If possible, can you open this file and see it.
It would be appreciated.
PARA_PREFIX="mpirun -np 8"
I hope instead of mpirun give actual path of mpirun path (which you compiled for QE).
If it not works please see install directory in quantum espresso software. There are different configure files which would be helpful to you.
Hello Subrahmanyam,
Thank you for your good suggestion.
Your suggestion really works for me. Now, I need one more information. To run the QE, we may need file like Koo1 ....etc (Inside the save file like (ch3nh3pbi3.save) ) until the number of k-points considered. How Do i get these files for my system ch3nh3Pbi3.
When I used save file inside tmp directory of different system (tio2.save), it says, dimension is not correct. So, I may need these file for my own problem.
Please can you help me?
Tikaram Neupane
I do not know exactly. But I can suggest you that use some other name out (instead of tmp). Since you are using shell script of examples of QE. This shell script may clean /tmp directory files for every new run. I hope if you modify shell script accordingly. Then it may solve your problem.
Thanks.
My problem is, how to set "wf_collect" option (create wave function) in Input file. When I write wf_collect= .TRUE in control file, It doe not change anything. Either for .FALSE not working.
Can you suggest me about it?
- Badges
- Science topic
- Similar topics
- Physics
- Condensed Matter Physics