[QE-users] MPI error in pw.x
Paolo Giannozzi
p.giannozzi at gmail.com
Sun Dec 9 21:26:31 CET 2018
If it is not a problem of your compiler or mpi libraries, it can only be
the usual problem of irreproducibility of results on different processors.
In order to figure out this, one needs as a strict minimum some information
on which exact version exhibits the problem, under which exact
circumstances (e.g. mpirun -np ... ) and an input that can be run in a
reasonable amount of time on a reasonably small machine.
Paolo
-
On Sat, Dec 8, 2018 at 9:55 PM Alex.Durie <alex.durie at open.ac.uk> wrote:
> Dear experts,
>
> I have been running pw.x with multiple processes quite successfully,
> however when the number of processes is high enough, such that the space
> group has more than 7 processes, where the subspace diagonalization no
> longer uses a serial algorithm, the program crashes abruptly at about the
> 10th iteration with the following errors;
>
> Fatal error in PMPI_Cart_sub: Other MPI error, error stack:
> PMPI_Cart_sub(242)...................: MPI_Cart_sub(comm=0xc400fcf3,
> remain_dims=0x7ffe0b27a6e8, comm_new=0x7ffe0b27a640) failed
> PMPI_Cart_sub(178)...................:
> MPIR_Comm_split_impl(270)............:
> MPIR_Get_contextid_sparse_group(1330): Too many communicators (0/16384
> free on this process; ignore_id=0)
> Fatal error in PMPI_Cart_sub: Other MPI error, error stack:
> PMPI_Cart_sub(242)...................: MPI_Cart_sub(comm=0xc400fcf3,
> remain_dims=0x7ffefaee7ce8, comm_new=0x7ffefaee7c40) failed
> PMPI_Cart_sub(178)...................:
> MPIR_Comm_split_impl(270)............:
> MPIR_Get_contextid_sparse_group(1330): Too many communicators (0/16384
> free on this process; ignore_id=0)
> Fatal error in PMPI_Cart_sub: Other MPI error, error stack:
> PMPI_Cart_sub(242)...................: MPI_Cart_sub(comm=0xc400fcf3,
> remain_dims=0x7fffc482d168, comm_new=0x7fffc482d0c0) failed
> PMPI_Cart_sub(178)...................:
> MPIR_Comm_split_impl(270)............:
> MPIR_Get_contextid_sparse_group(1330): Too many communicators (0/16384
> free on this process; ignore_id=0)
> Fatal error in PMPI_Cart_sub: Other MPI error, error stack:
> PMPI_Cart_sub(242)...................: MPI_Cart_sub(comm=0xc400fcf3,
> remain_dims=0x7ffe23a022e8, comm_new=0x7ffe23a02240) failed
> PMPI_Cart_sub(178)...................:
> MPIR_Comm_split_impl(270)............:
> MPIR_Get_contextid_sparse_group(1330): Too many communicators (0/16384
> free on this process; ignore_id=0)
> forrtl: error (69): process interrupted (SIGINT)
> Image PC Routine Line
> Source
> pw.x 0000000000EAAC45 Unknown Unknown Unknown
> pw.x 0000000000EA8867 Unknown Unknown Unknown
> pw.x 0000000000E3DC64 Unknown Unknown Unknown
> pw.x 0000000000E3DA76 Unknown Unknown Unknown
> pw.x 0000000000DC41B6 Unknown Unknown Unknown
> pw.x 0000000000DCBB2E Unknown Unknown Unknown
> libpthread.so.0 00002BA339B746D0 Unknown Unknown
> Unknown
> libmpi.so.12 00002BA3390A345F Unknown Unknown
> Unknown
> libmpi.so.12 00002BA3391AEE39 Unknown Unknown
> Unknown
> libmpi.so.12 00002BA3391AEB32 Unknown Unknown
> Unknown
> libmpi.so.12 00002BA3390882F9 Unknown Unknown
> Unknown
> libmpi.so.12 00002BA339087D5D Unknown Unknown
> Unknown
> libmpi.so.12 00002BA339087BDC Unknown Unknown
> Unknown
> libmpi.so.12 00002BA339087B0C Unknown Unknown
> Unknown
> libmpi.so.12 00002BA339089932 Unknown Unknown
> Unknown
> libmpifort.so.12 00002BA338C41B1C Unknown Unknown
> Unknown
> pw.x 0000000000BCEE47 bcast_real_ 37
> mp_base.f90
> pw.x 0000000000BAF7E4 mp_mp_mp_bcast_rv 395 mp.f90
> pw.x 0000000000B6E881 pcdiaghg_ 363
> cdiaghg.f90
> pw.x 0000000000AF7304 protate_wfc_k_ 256
> rotate_wfc_k.f90
> pw.x 0000000000681E82 rotate_wfc_ 64
> rotate_wfc.f90
> pw.x 000000000064F519 diag_bands_ 423
> c_bands.f90
> pw.x 000000000064CAD4 c_bands_ 99
> c_bands.f90
> pw.x 000000000040C014 electrons_scf_ 552
> electrons.f90
> pw.x 0000000000408DBD electrons_ 146
> electrons.f90
> pw.x 000000000057582B run_pwscf_ 132
> run_pwscf.f90
> pw.x 0000000000406AC5 MAIN__ 77
> pwscf.f90
> pw.x 000000000040695E Unknown Unknown Unknown
> libc.so.6 00002BA33A0A5445 Unknown Unknown
> Unknown
> pw.x 0000000000406869 Unknown Unknown Unknown
> forrtl: error (69): process interrupted (SIGINT)
> Image PC Routine Line
> Source
> pw.x 0000000000EAAC45 Unknown Unknown Unknown
> pw.x 0000000000EA8867 Unknown Unknown Unknown
> pw.x 0000000000E3DC64 Unknown Unknown Unknown
> pw.x 0000000000E3DA76 Unknown Unknown Unknown
> pw.x 0000000000DC41B6 Unknown Unknown Unknown
> pw.x 0000000000DCBB2E Unknown Unknown Unknown
> libpthread.so.0 00002B8E527936D0 Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CC276E Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51DCDE39 Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51DCDB32 Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CA72F9 Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CA6D5D Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CA6BDC Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CA6B0C Unknown Unknown
> Unknown
> libmpi.so.12 00002B8E51CA8932 Unknown Unknown
> Unknown
> libmpifort.so.12 00002B8E51860B1C Unknown Unknown
> Unknown
> pw.x 0000000000BCEE47 bcast_real_ 37
> mp_base.f90
> pw.x 0000000000BAF7E4 mp_mp_mp_bcast_rv 395 mp.f90
> pw.x 0000000000B6E881 pcdiaghg_ 363
> cdiaghg.f90
> pw.x 0000000000AF7304 protate_wfc_k_ 256
> rotate_wfc_k.f90
> pw.x 0000000000681E82 rotate_wfc_ 64
> rotate_wfc.f90
> pw.x 000000000064F519 diag_bands_ 423
> c_bands.f90
> pw.x 000000000064CAD4 c_bands_ 99
> c_bands.f90
> pw.x 000000000040C014 electrons_scf_ 552
> electrons.f90
> pw.x 0000000000408DBD electrons_ 146
> electrons.f90
> pw.x 000000000057582B run_pwscf_ 132
> run_pwscf.f90
> pw.x 0000000000406AC5 MAIN__ 77
> pwscf.f90
> pw.x 000000000040695E Unknown Unknown Unknown
> libc.so.6 00002B8E52CC4445 Unknown Unknown
> Unknown
> pw.x 0000000000406869 Unknown Unknown Unknown
> forrtl: error (69): process interrupted (SIGINT)
> Image PC Routine Line
> Source
> pw.x 0000000000EAAC45 Unknown Unknown Unknown
> pw.x 0000000000EA8867 Unknown Unknown Unknown
> pw.x 0000000000E3DC64 Unknown Unknown Unknown
> pw.x 0000000000E3DA76 Unknown Unknown Unknown
> pw.x 0000000000DC41B6 Unknown Unknown Unknown
> pw.x 0000000000DCBB2E Unknown Unknown Unknown
> libpthread.so.0 00002ABAB008D6D0 Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5BC45C Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF6C7E39 Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF6C7B32 Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5A12F9 Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5A0D5D Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5A0BDC Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5A0B0C Unknown Unknown
> Unknown
> libmpi.so.12 00002ABAAF5A2932 Unknown Unknown
> Unknown
> libmpifort.so.12 00002ABAAF15AB1C Unknown Unknown
> Unknown
> pw.x 0000000000BCEE47 bcast_real_ 37
> mp_base.f90
> pw.x 0000000000BAF7E4 mp_mp_mp_bcast_rv 395 mp.f90
> pw.x 0000000000B6E881 pcdiaghg_ 363
> cdiaghg.f90
> pw.x 0000000000AF7304 protate_wfc_k_ 256
> rotate_wfc_k.f90
> pw.x 0000000000681E82 rotate_wfc_ 64
> rotate_wfc.f90
> pw.x 000000000064F519 diag_bands_ 423
> c_bands.f90
> pw.x 000000000064CAD4 c_bands_ 99
> c_bands.f90
> pw.x 000000000040C014 electrons_scf_ 552
> electrons.f90
> pw.x 0000000000408DBD electrons_ 146
> electrons.f90
> pw.x 000000000057582B run_pwscf_ 132
> run_pwscf.f90
> pw.x 0000000000406AC5 MAIN__ 77
> pwscf.f90
> pw.x 000000000040695E Unknown Unknown Unknown
> libc.so.6 00002ABAB05BE445 Unknown Unknown
> Unknown
> pw.x 0000000000406869 Unknown Unknown Unknown
> forrtl: error (69): process interrupted (SIGINT)
> Image PC Routine Line
> Source
> pw.x 0000000000EAAC45 Unknown Unknown Unknown
> pw.x 0000000000EA8867 Unknown Unknown Unknown
> pw.x 0000000000E3DC64 Unknown Unknown Unknown
> pw.x 0000000000E3DA76 Unknown Unknown Unknown
> pw.x 0000000000DC41B6 Unknown Unknown Unknown
> pw.x 0000000000DCBB2E Unknown Unknown Unknown
> libpthread.so.0 00002ACB4BF866D0 Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B4B5775 Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B5C0E39 Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B5C0B32 Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B49A2F9 Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B499D5D Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B499BDC Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B499B0C Unknown Unknown
> Unknown
> libmpi.so.12 00002ACB4B49B932 Unknown Unknown
> Unknown
> libmpifort.so.12 00002ACB4B053B1C Unknown Unknown
> Unknown
> pw.x 0000000000BCEE47 bcast_real_ 37
> mp_base.f90
> pw.x 0000000000BAF7E4 mp_mp_mp_bcast_rv 395 mp.f90
> pw.x 0000000000B6E881 pcdiaghg_ 363
> cdiaghg.f90
> pw.x 0000000000AF7304 protate_wfc_k_ 256
> rotate_wfc_k.f90
> pw.x 0000000000681E82 rotate_wfc_ 64
> rotate_wfc.f90
> pw.x 000000000064F519 diag_bands_ 423
> c_bands.f90
> pw.x 000000000064CAD4 c_bands_ 99
> c_bands.f90
> pw.x 000000000040C014 electrons_scf_ 552
> electrons.f90
> pw.x 0000000000408DBD electrons_ 146
> electrons.f90
> pw.x 000000000057582B run_pwscf_ 132
> run_pwscf.f90
> pw.x 0000000000406AC5 MAIN__ 77
> pwscf.f90
> pw.x 000000000040695E Unknown Unknown Unknown
> libc.so.6 00002ACB4C4B7445 Unknown Unknown
> Unknown
> pw.x 0000000000406869 Unknown Unknown Unknown
>
> Sample output below
>
> Parallel version (MPI), running on 16 processors
>
> MPI processes distributed on 1 nodes R & G space division:
> proc/nbgrp/npool/nimage = 16
>
> Reading cobalt.scf Message from routine
> read_cards : DEPRECATED: no units specified in
> ATOMIC_POSITIONS card Message
> from routine read_cards :
>
> ATOMIC_POSITIONS: units set to alat
>
> Current dimensions of program PWSCF are:
>
> Max number of different atomic species (ntypx) = 10
>
> Max number of k-points (npk) = 40000
>
> Max angular momentum in pseudopotentials (lmaxx) = 3
>
> Presently no symmetry can be used with electric field
>
>
> file Co.pz-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 4S 3D renormalized
>
>
> Subspace diagonalization in iterative solution of the eigenvalue problem:
>
> one sub-group per band group will be used
>
> scalapack distributed-memory algorithm (size of sub-group: 2* 2 procs)
>
>
> Parallelization info
>
> --------------------
>
> sticks: dense smooth PW G-vecs: dense smooth PW
>
> Min 13 13 4 2449 2449 462
>
> Max 14 14 5 2516 2516 527
>
> Sum 221 221 69 39945 39945 7777
>
> Many thanks,
>
> Alex Durie
> PhD student
> Open University
> United Kingdom
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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