EPW Forum

Dear Users,

I am trying to calculate the mobility of silicon by using "iterative_bte = .true." but the code is stoping in between without completion. I am simulating the same example as given in the test-suite using "etf_mem = 0" and "iverbosity = 0" in my input script. All the simulations are on intel MPI.
When I calculate mobility without using "iterative_bte = .true." the input script compiles properly giving results otherwise with "iterative_bte = .true." it gives the message as below:-

This requires fcntl(2) to be implemented. As of 8/25/2011 it is not. Generic MPICH Message: File locking failed in ADIOI_Set_lock(fd 3,cmd F_SETLKW/7,type F_WRLCK/1,whence 0) with return value FFFFFFFF and errno 26.
- If the file system is NFS, you need to use NFS version 3, ensure that the lockd daemon is running on all the machines, and mount the directory with the 'noac' option (no attribute caching).
- If the file system is LUSTRE, ensure that the directory is mounted with the 'flock' option.
ADIOI_Set_lock:: Function not implemented
ADIOI_Set_lock:offset 0, length 57680
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

Kindly help me in rectifying the above problem.
Thank You,
Ankit Sirohi.

Dear Ankit Sirohi:

Did you encounter the same error message when you used etf_mem = 1 or 2?

I don't know which version of EPW you are using, but regarding EPW v5.2 and the upcoming EPW v5.3, we have no issue with test-suites using iterative_bte = .true., for instance epw_mob_ibte_sym in test-suite, on several INTEL or GNU-based systems.

It seems that there is a problem with parallel MPI I/O in your system.
I would suggest you to consult with your system administrator.

Sincerely,

H. Lee

Dear H.Lee,

Thank you for replying.

Sir, I am using EPW version 5.2. With "etf_mem = 1" I am getting segmentation error, therefore, I am using "etf_mem = 0" I have not tried with
"etf_mem = 2".
The error is coming with Intel MPI when I am using OpenMPI(GNU) the script is running fine.

Sincerely,
Ankit Sirohi