[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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