[QE-users] Error while running Quantum Espresso with Intel MPI
Will DeBenedetti
wjd74 at cornell.edu
Wed Feb 13 23:16:56 CET 2019
HI David,
Have you attempted to compile with MPICH or OpenMPI? If so, can you provide the output files after running an example calculation?
Thanks,
On Feb 13, 2019, at 5:11 PM, DAVID BARCENE <david.barcene at utp.ac.pa<mailto:david.barcene at utp.ac.pa>> wrote:
Hello, I'm new to quantum espresso and I'm having some issues while running the examples. I installed QE in my laptop (Lenovo Thinkpad E480, i7-8550U running Fedora 29) using intel mpi to take advantage of the quad core cpu. I have compiled QE using the intel fortran compiler and intel C compiler including the MKL provided by the Intel Paralell Studio XE 2019 update 1 cluster edition. No warnings or errors were shown during the compilation but when I run the example ~/qe-6.3/PW/examples/example01 it just aborts. A forum suggested to set FI_LOG_LEVEL= debug to collect logs and this is the output I get:
********************************************************************************************************************************************
[dbarcene at NGC2501 example01]$ ./run_example
/home/dbarcene/qe-6.3/PW/examples/example01 : starting
This example shows how to use pw.x to calculate the total energy and
the band structure of four simple systems: Si, Al, Cu, Ni.
executables directory: /home/dbarcene/qe-6.3/bin
pseudo directory: /home/dbarcene/qe-6.3/pseudo
temporary directory: /home/dbarcene/qe-6.3/tempdir
checking that needed directories and files exist... done
running pw.x as: mpirun -np 4 /home/dbarcene/qe-6.3/bin/pw.x -nk 1 -nd 1 -nb 1 -nt 1
running the scf calculation for Si...Abort(1094543) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
Abort(1094543) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(639)......:
MPID_Init(860).............:
MPIDI_NM_mpi_init_hook(689): OFI addrinfo() failed (ofi_init.h:689:MPIDI_NM_mpi_init_hook:No data available)
[cli_1]: readline failed
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001A5EAC4 Unknown Unknown Unknown
libpthread-2.28.s 00007FE6FEB3B030 Unknown Unknown Unknown
pw.x 00000000011BF2F0 Unknown Unknown Unknown
pw.x 0000000000CBA309 Unknown Unknown Unknown
pw.x 0000000000CB9D37 Unknown Unknown Unknown
pw.x 0000000000407286 Unknown Unknown Unknown
pw.x 0000000000407222 Unknown Unknown Unknown
libc-2.28.so 00007FE6FADC0413 __libc_start_main Unknown Unknown
pw.x 000000000040712E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001A5EAC4 Unknown Unknown Unknown
libpthread-2.28.s 00007F05A7AEF030 Unknown Unknown Unknown
libpthread-2.28.s 00007F05A7AEDDC0 __read Unknown Unknown
libmpi.so.12.0.0 00007F05A65D399F Unknown Unknown Unknown
libmpi.so.12.0.0 00007F05A65D2D32 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F05A4C158D0 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F05A4CC6613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 00007F05A58AA299 MPI_Init Unknown Unknown
libmpifort.so.12. 00007F05A40114EB MPI_INIT Unknown Unknown
pw.x 0000000000CBA2F8 Unknown Unknown Unknown
pw.x 0000000000CB9D37 Unknown Unknown Unknown
pw.x 0000000000407286 Unknown Unknown Unknown
pw.x 0000000000407222 Unknown Unknown Unknown
libc-2.28.so 00007F05A3D74413 __libc_start_main Unknown Unknown
pw.x 000000000040712E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001A5EAC4 Unknown Unknown Unknown
libpthread-2.28.s 00007F73A282A030 Unknown Unknown Unknown
libpthread-2.28.s 00007F73A2828DC0 __read Unknown Unknown
libmpi.so.12.0.0 00007F73A130E99F Unknown Unknown Unknown
libmpi.so.12.0.0 00007F73A130DD32 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F739F9508D0 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F739FA01613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 00007F73A05E5299 MPI_Init Unknown Unknown
libmpifort.so.12. 00007F739ED4C4EB MPI_INIT Unknown Unknown
pw.x 0000000000CBA2F8 Unknown Unknown Unknown
pw.x 0000000000CB9D37 Unknown Unknown Unknown
pw.x 0000000000407286 Unknown Unknown Unknown
pw.x 0000000000407222 Unknown Unknown Unknown
libc-2.28.so 00007F739EAAF413 __libc_start_main Unknown Unknown
pw.x 000000000040712E Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001A5EAC4 Unknown Unknown Unknown
libpthread-2.28.s 00007F114000F030 Unknown Unknown Unknown
libpthread-2.28.s 00007F114000DDC0 __read Unknown Unknown
libmpi.so.12.0.0 00007F113EAF399F Unknown Unknown Unknown
libmpi.so.12.0.0 00007F113EAF2D32 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F113D1358D0 Unknown Unknown Unknown
libmpi.so.12.0.0 00007F113D1E6613 MPIR_Err_return_c Unknown Unknown
libmpi.so.12.0.0 00007F113DDCA299 MPI_Init Unknown Unknown
libmpifort.so.12. 00007F113C5314EB MPI_INIT Unknown Unknown
pw.x 0000000000CBA2F8 Unknown Unknown Unknown
pw.x 0000000000CB9D37 Unknown Unknown Unknown
pw.x 0000000000407286 Unknown Unknown Unknown
pw.x 0000000000407222 Unknown Unknown Unknown
libc-2.28.so 00007F113C294413 __libc_start_main Unknown Unknown
pw.x 000000000040712E Unknown Unknown Unknown
Error condition encountered during test: exit status = 179
Aborting
***************************************************************************************************************************************
Thanks in advance for any help you may provide.
All the best
David Barcene
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William DeBenedetti
Cornell University
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