I have what seems a memory problem when I use paral_kgb=1. I get the following error message from abinit :
Code: Select all
Biggest array : pawfgrtab%gylm(gr), with 4355.9783 MBytes.
-P-0000 leave_test : synchronization done...
memana : allocated an array of 4355.978 Mbytes, for testing purposes.
-P-0000
-P-0000 memana : ERROR -
-P-0000 Test failed to allocate 8332.909 Mbytes
-P-0000 It is not worth to continue
-P-0000 Action : modify input variable to fit the available memory.
-P-0000 or increase limit on available memory.
-P-0000
-P-0000 leave_new : decision taken to exit ...Then at the end of the LOG file:
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-P-0000 leave_new : calling XMPI_ABORT...
MPI_ERROR_STRING: MPI_ERR_UNKNOWN: unknown error
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 14.
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 4 with PID 17727 on
node cja065.localdomain exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
[cja065.localdomain:17716] 23 more processes have sent help message help-mpi-api.txt / mpi-abort
[cja065.localdomain:17716] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
I tried different values for npkpt, npband or npfft but I always end up with the same error. I have 320 bands and 27 kpoints in my calculation. It is uranium carbide.
I have another calculation running with paral_kgb for mixed uranium/plutonium oxide on the same machine and it works perfectly fine. I have 120 bands and 36 kpoints in this calculation.
Could you please help me with that issue?
Thanks