I am attempting to set up Abinit 6.12.3 on a 64 bit machine running CentOS 6.3. I can compile and run Abinit in serial just fine, but I am having trouble getting it to utilize OpenMPI. Here are my procedure and the resulting problems.
First, install OpenMPI:
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sudo yum install openmpi openmpi-develThen I loaded the OpenMPI module and checked to make sure my paths were correct:
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module load openmpi-$(uname -i)
echo $PATH
/usr/lib64/openmpi/bin:...
echo $LD_LIBRARY_PATH
/usr/lib64/openmpi/lib:...
which mpirun
/usr/lib64/openmpi/bin/mpirunI was able to compile and run some simple MPI programs, so I believe OpenMPI is functioning. I then configured Abinit:
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./configure --enable-mpi="yes" --enable-mpi-io="yes" --with-mpi-prefix="/usr/lib64/openmpi/" --with-dft-flavor="none" --with-trio-flavor="none" --with-linalg-libs="-L/usr/lib64 -lblas -llapack"This resulted in:
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==============================================================================
=== Overall startup ===
==============================================================================
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking target system type... x86_64-unknown-linux-gnu
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make sets $(MAKE)... (cached) yes
checking whether ln -s works... yes
checking for a sed that does not truncate output... /bin/sed
checking for gawk... (cached) gawk
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
configure: not loading options (no config file available)
==============================================================================
=== Build-system information ===
==============================================================================
configure: ABINIT version 6.12.3
configure: M4 010416 - Autoconf 026800 - Automake 011100 - Libtool 020204
configure: reporting user interface changes:
configure: * new option --enable-gui is available
configure: * new option --enable-gw-openmp is available
configure: * new option --with-algo-flavor is available
configure: * new option --with-algo-incs is available
configure: * new option --with-algo-libs is available
configure: * --with-fallbacks-tardir removed
==============================================================================
=== Option consistency checking ===
==============================================================================
configure: checking consistency of library-related options
configure: |---> all OK
configure:
configure: checking consistency of experimental options
configure: |---> all OK
configure:
configure: |---> all OK
configure:
configure: parsing command-line options
==============================================================================
=== Multicore architecture startup ===
==============================================================================
configure: Initializing MPI support
configure: looking for MPI in /usr/lib64/openmpi/
checking for a MPI C compiler... /usr/lib64/openmpi//bin/mpicc
checking for a MPI C++ compiler... /usr/lib64/openmpi//bin/mpicxx
checking for a MPI Fortran compiler... /usr/lib64/openmpi//bin/mpif90
checking for a MPI runner... /usr/lib64/openmpi//bin/mpirun
configure: GPU support disabled from command-line
==============================================================================
=== Utilities ===
==============================================================================
checking for sh... /bin/sh
checking for mv... /bin/mv
checking for perl... /usr/bin/perl
checking for rm... /bin/rm
checking for patch... patch
checking for tar... tar
==============================================================================
=== C support ===
==============================================================================
checking for gcc... /usr/lib64/openmpi//bin/mpicc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether /usr/lib64/openmpi//bin/mpicc accepts -g... yes
checking for /usr/lib64/openmpi//bin/mpicc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of /usr/lib64/openmpi//bin/mpicc... gcc3
checking how to run the C preprocessor... /usr/lib64/openmpi//bin/mpicc -E
checking which type of compiler we have... gnu 4.4
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking whether byte ordering is bigendian... no
==============================================================================
=== C++ support ===
==============================================================================
checking whether we are using the GNU C++ compiler... yes
checking whether /usr/lib64/openmpi//bin/mpicxx accepts -g... yes
checking dependency style of /usr/lib64/openmpi//bin/mpicxx... gcc3
checking which type of C++ compiler we have... gnu 4.4
==============================================================================
=== Fortran support ===
==============================================================================
checking whether we are using the GNU Fortran compiler... yes
checking whether /usr/lib64/openmpi//bin/mpif90 accepts -g... yes
checking which type of Fortran compiler we have... gnu 4.4
checking fortran 90 modules extension... mod
checking for Fortran flag to compile .F90 files... none
configure: determining Fortran module case
checking whether Fortran modules are upper-case... no
checking how to get verbose linking output from /usr/lib64/openmpi//bin/mpif90... -v
checking for Fortran libraries of /usr/lib64/openmpi//bin/mpif90... -L/usr/lib64/openmpi/lib -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../.. -lmpi_f90 -lmpi_f77 -lmpi -ldl -lgfortranbegin -lgfortran -lm -lpthread
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... lower case, underscore, no extra underscore
==============================================================================
=== Python support ===
==============================================================================
checking for python... python
checking for Python CPPFLAGS... -I/usr/include/python2.6 -I/usr/lib64/python2.6/site-packages/numpy/core/include
checking for bzr... no
checking for Python NumPy headers... found
==============================================================================
=== Libraries and linking ===
==============================================================================
checking for ar... ar
checking for ranlib... ranlib
==============================================================================
=== Hints ===
==============================================================================
checking for cpp... cpp
checking for a true C preprocessor... cpp
checking which cpp hints to apply... default/default/default
checking which cc hints to apply... gnu/default/default
checking which xpp hints to apply... none/none/none
checking which cxx hints to apply... gnu/default/default
checking which fpp hints to apply... default/default/default
checking which fc hints to apply... gnu/default/default
checking which ar hints to apply... none/none/none
checking which Fortran preprocessor to use...
checking which Fortran preprocessor flags to apply...
checking whether to wrap Fortran compiler calls... no
==============================================================================
=== Debugging ===
==============================================================================
checking debugging status... enabled (profile mode: basic)
configure: setting C debug flags to '-g'
configure: setting C++ debug flags to '-g'
configure: setting Fortran debug flags to '-g'
checking whether to activate debug mode in source files... no
checking which cc debug flags to apply... gnu/default/default
checking which cxx debug flags to apply... none/none/none
checking which fc debug flags to apply... gnu/default/default
checking whether to activate design-by-contract debugging... no
==============================================================================
=== Optimizations ===
==============================================================================
checking optimization status... enabled (profile mode: standard)
checking which cc optimizations to apply... gnu/default/default
checking which cxx optimizations to apply... gnu/default/default
checking which fc optimizations to apply... gnu/default/default
checking whether to apply per-directory optimizations... yes
==============================================================================
=== 64-bit support ===
==============================================================================
checking for a 64-bit architecture... yes
checking whether to use 64-bit flags... no
checking for user-defined 64-bit flags...
==============================================================================
=== Build flags ===
==============================================================================
configure: static builds may be performed
==============================================================================
=== Advanced compiler features ===
==============================================================================
checking stddef.h usability... yes
checking stddef.h presence... yes
checking for stddef.h... yes
checking stdarg.h usability... yes
checking stdarg.h presence... yes
checking for stdarg.h... yes
checking stdio.h usability... yes
checking stdio.h presence... yes
checking for stdio.h... yes
checking math.h usability... yes
checking math.h presence... yes
checking for math.h... yes
checking termios.h usability... yes
checking termios.h presence... yes
checking for termios.h... yes
checking errno.h usability... yes
checking errno.h presence... yes
checking for errno.h... yes
checking malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.h... yes
checking sys/malloc.h usability... no
checking sys/malloc.h presence... no
checking for sys/malloc.h... no
checking mcheck.h usability... yes
checking mcheck.h presence... yes
checking for mcheck.h... yes
checking sys/time.h usability... yes
checking sys/time.h presence... yes
checking for sys/time.h... yes
checking sys/resource.h usability... yes
checking sys/resource.h presence... yes
checking for sys/resource.h... yes
checking for abort... yes
checking for mallinfo... yes
checking size of char... 1
checking size of short... 2
checking size of int... 4
checking size of long... 8
checking size of long long... 8
checking size of unsigned int... 4
checking size of unsigned long... 8
checking size of unsigned long long... 8
checking size of float... 4
checking size of double... 8
checking size of long double... 16
checking size of size_t... 8
checking size of ptrdiff_t... 8
checking for an ANSI C-conforming const... yes
checking for size_t... yes
checking whether the Fortran compiler supports allocatable arrays in datatypes... yes
checking whether the Fortran compiler provides the iso_c_binding module... yes
checking whether the Fortran compiler accepts exit()... yes
checking whether the Fortran compiler accepts flush()... yes
checking whether the Fortran compiler accepts flush_()... no
checking whether the Fortran compiler accepts gamma()... yes
checking whether the Fortran compiler accepts getenv()... yes
checking whether the Fortran compiler accepts getpid()... no
checking whether the Fortran compiler accepts the null() intrinsic... yes
checking whether the Fortran compiler accepts quadruple integers... yes
checking whether the Fortran compiler accepts long lines... yes
checking whether the Fortran compiler supports stream IO... yes
checking whether the Fortran compiler accepts cpu_time()... yes
checking whether the Fortran compiler accepts etime()... no
checking whether to use C clock for timings... no
==============================================================================
=== Multicore architecture support ===
==============================================================================
checking whether the C compiler supports MPI... yes
checking whether the C++ compiler supports MPI... yes
checking whether the Fortran Compiler supports MPI... yes
checking whether MPI is usable... yes
checking whether to build MPI code... yes
checking whether to build MPI I/O code... yes
checking whether to build MPI time tracing code... no
checking which level of MPI is supported by the Fortran compiler... 2
checking whether the MPI library supports MPI_CREATE_TYPE_STRUCT... yes
checking whether to activate GPU support... no
==============================================================================
=== Connectors / Fallbacks ===
==============================================================================
checking for the requested transferable I/O support... none
checking for the actual transferable I/O support... none
checking for the requested timer support... abinit
checking time.h usability... yes
checking time.h presence... yes
checking for time.h... yes
checking for clock_gettime in -lrt... yes
checking for clock_gettime... no
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking whether to select a fallback for linear algebra... no
checking for BLAS support in specified libraries... yes
checking for LAPACK support in specified libraries... yes
checking for BLACS support in specified libraries... no
checking for ScaLAPACK support in specified libraries... no
checking for MAGMA support in specified libraries... checking TEST... no
checking whether we have a serial linear algebra support... yes
checking whether we have a MPI linear algebra support... no
checking whether we have a GPU linear algebra support... no
checking for the actual linear algebra support... netlib
checking for the requested algorithmic support... none
checking for the actual algorithmic support... none
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... none
checking for the actual DFT support...
configure: fallbacks to enable =>
checking whether to build atompaw... no
checking whether to build bigdft... no
checking whether to build etsf_io... no
checking whether to build fox... no
checking whether to build libxc... no
checking whether to build linalg... no
checking whether to build netcdf... no
checking whether to build wannier90... no
configure: using tarball repository /home/pakij/.abinit/tarballs
==============================================================================
=== Experimental developments and option triggers ===
==============================================================================
checking whether to accelerate 'make check'... no
checking whether to reduce 'make check' for packaging... no
checking whether to activate maintainer checks... no
configure: setting triggers associated to command-line options
checking whether to activate support for bindings (EXPERIMENTAL)... no
checking whether to activate Bethe-Salpeter unpacking (EXPERIMENTAL)... no
checking whether to enable the Abinit C library (EXPERIMENTAL)... no
checking whether to activate build of exported libraries (EXPERIMENTAL)... no
checking whether to activate the use of cut-offs for GW calculations (EXPERIMENTAL)... no
checking whether to activate double-precision GW calculations (EXPERIMENTAL)... no
checking whether to activate OpenMP-assisted GW calculations (EXPERIMENTAL)... no
checking whether to activate optimal GW calculations (EXPERIMENTAL)... no
checking whether to activate wrapped GW calculations (EXPERIMENTAL)... no
checking whether to enable build of macroave (EXPERIMENTAL)... yes
configure: triggering the 'DO_BUILD_01_MACROAVNEW_EXT' conditional
configure: triggering the 'DO_BUILD_MACROAVE' conditional
configure: defining the 'USE_MACROAVE' preprocessing macro
checking whether to activate support for Symmetric Multi-Processing (EXPERIMENTAL)... no
checking whether to tell Abinit to read file lists from standard input... yes
checking whether to activate workaround for bugged ZDOTC and ZDOTU... no
==============================================================================
=== Subsystems ===
==============================================================================
configure: the Abinit Documentation will never be built
configure: the Abinit FALLBACKS may be built when necessary
configure: the Abinit GUI will never be built
configure: the Abinit Documentation may be built upon request
==============================================================================
=== Output ===
==============================================================================
configure: creating ./config.status
config.status: creating doc/Makefile
config.status: creating config.dump
config.status: creating config.pc
config.status: creating config.sh
config.status: creating config/wrappers/wrap-fc
config.status: creating fallbacks/config.mk
config.status: creating src/incs/Makefile
config.status: creating src/mods/Makefile
config.status: creating src/16_hideleave/m_build_info.F90
config.status: creating tests/config.sh
config.status: creating tests/tests.env
config.status: creating tests/tests-install.env
config.status: creating Makefile
config.status: creating src/Makefile
config.status: creating src/01_gsl_ext/Makefile
config.status: creating src/01_interfaces_ext/Makefile
config.status: creating src/01_linalg_ext/Makefile
config.status: creating src/01_macroavnew_ext/Makefile
config.status: creating src/02_clib/Makefile
config.status: creating src/10_defs/Makefile
config.status: creating src/11_qespresso_ext/Makefile
config.status: creating src/12_hide_mpi/Makefile
config.status: creating src/13_memory_mpi/Makefile
config.status: creating src/14_hidewrite/Makefile
config.status: creating src/15_gpu_toolbox/Makefile
config.status: creating src/16_hideleave/Makefile
config.status: creating src/18_timing/Makefile
config.status: creating src/27_toolbox_oop/Makefile
config.status: creating src/28_numeric_noabirule/Makefile
config.status: creating src/32_contract/Makefile
config.status: creating src/32_util/Makefile
config.status: creating src/42_geometry/Makefile
config.status: creating src/42_nlstrain/Makefile
config.status: creating src/42_parser/Makefile
config.status: creating src/43_ptgroups/Makefile
config.status: creating src/43_wvl_wrappers/Makefile
config.status: creating src/44_abitypes_defs/Makefile
config.status: creating src/45_geomoptim/Makefile
config.status: creating src/45_psp_parser/Makefile
config.status: creating src/47_xml/Makefile
config.status: creating src/49_gw_toolbox_oop/Makefile
config.status: creating src/51_manage_mpi/Makefile
config.status: creating src/52_fft_mpi_noabirule/Makefile
config.status: creating src/52_manage_cuda/Makefile
config.status: creating src/53_abiutil/Makefile
config.status: creating src/53_ffts/Makefile
config.status: creating src/53_spacepar/Makefile
config.status: creating src/56_mixing/Makefile
config.status: creating src/56_recipspace/Makefile
config.status: creating src/56_xc/Makefile
config.status: creating src/57_iovars/Makefile
config.status: creating src/59_io_mpi/Makefile
config.status: creating src/61_ionetcdf/Makefile
config.status: creating src/62_cg_noabirule/Makefile
config.status: creating src/62_iowfdenpot/Makefile
config.status: creating src/62_occeig/Makefile
config.status: creating src/62_poisson/Makefile
config.status: creating src/62_wvl_wfs/Makefile
config.status: creating src/63_bader/Makefile
config.status: creating src/64_atompaw/Makefile
config.status: creating src/65_nonlocal/Makefile
config.status: creating src/65_psp/Makefile
config.status: creating src/66_paw/Makefile
config.status: creating src/66_wfs/Makefile
config.status: creating src/67_common/Makefile
config.status: creating src/68_dmft/Makefile
config.status: creating src/68_recursion/Makefile
config.status: creating src/68_rsprc/Makefile
config.status: creating src/69_wfdesc/Makefile
config.status: creating src/70_gw/Makefile
config.status: creating src/71_bse/Makefile
config.status: creating src/72_response/Makefile
config.status: creating src/77_ddb/Makefile
config.status: creating src/77_lwf/Makefile
config.status: creating src/77_suscep/Makefile
config.status: creating src/79_seqpar_mpi/Makefile
config.status: creating src/83_cut3d/Makefile
config.status: creating src/93_rdm/Makefile
config.status: creating src/95_drive/Makefile
config.status: creating src/98_main/Makefile
config.status: creating src/libs/Makefile
config.status: creating tests/Nightly/Makefile
config.status: creating bindings/Makefile
config.status: creating bindings/parser/Makefile
config.status: creating config.h
config.status: executing depfiles commands
config.status: executing dump-optim commands
config.status: executing script-perms commands
config.status: executing long-lines commands
=== configuring in fallbacks (/home/pakij/abinit-6.12.3/fallbacks)
configure: running /bin/sh ./configure --disable-option-checking '--prefix=/usr/local' '--enable-mpi=yes' '--enable-mpi-io=yes' '--with-mpi-prefix=/usr/lib64/openmpi/' '--with-dft-flavor=none' '--with-trio-flavor=none' '--with-linalg-libs=-L/usr/lib64 -lblas -llapack' '--enable-gui-build=yes' '--enable-atompaw=no' '--enable-bigdft=no' '--enable-etsf-io=no' '--enable-fox=no' '--enable-libxc=no' '--enable-linalg=no' '--enable-netcdf=no' '--enable-wannier90=no' '--with-fc-vendor=gnu' '--with-fc-version=4.4' '--with-tardir=/home/pakij/.abinit/tarballs' --cache-file=/dev/null --srcdir=.
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking target system type... x86_64-unknown-linux-gnu
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make sets $(MAKE)... (cached) yes
checking whether ln -s works... yes
checking for a sed that does not truncate output... /bin/sed
checking for gawk... (cached) gawk
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
configure: setting Fortran compiler vendor to gnu
configure: setting Fortran compiler version to 4.4
configure: setting tarball repository to /home/pakij/.abinit/tarballs
configure: checking consistency of fallback options
checking for wget... wget
checking for curl... curl
configure: using tarball repository /home/pakij/.abinit/tarballs
checking for patch... patch
checking for gcc... gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of gcc... none
checking for gfortran... gfortran
checking whether we are using the GNU Fortran compiler... yes
checking whether gfortran accepts -g... yes
checking whether to enable the LINALG fallback... no
checking whether to enable the FOX fallback... no
checking whether to enable the NETCDF fallback... no
checking whether to enable the ETSF_IO fallback... no
checking whether to enable the LIBXC fallback... no
checking whether to enable the ATOMPAW fallback... no
checking whether to enable the BIGDFT fallback... no
checking whether to enable the WANNIER90 fallback... no
configure: creating ./config.status
config.status: creating Makefile
config.status: executing depfiles commands
=== configuring in tests (/home/pakij/abinit-6.12.3/tests)
configure: running /bin/sh ./configure --disable-option-checking '--prefix=/usr/local' '--enable-mpi=yes' '--enable-mpi-io=yes' '--with-mpi-prefix=/usr/lib64/openmpi/' '--with-dft-flavor=none' '--with-trio-flavor=none' '--with-linalg-libs=-L/usr/lib64 -lblas -llapack' '--enable-gui-build=yes' '--enable-atompaw=no' '--enable-bigdft=no' '--enable-etsf-io=no' '--enable-fox=no' '--enable-libxc=no' '--enable-linalg=no' '--enable-netcdf=no' '--enable-wannier90=no' '--with-fc-vendor=gnu' '--with-fc-version=4.4' '--with-tardir=/home/pakij/.abinit/tarballs' --cache-file=/dev/null --srcdir=.
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking target system type... x86_64-unknown-linux-gnu
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make sets $(MAKE)... (cached) yes
checking whether ln -s works... yes
checking for a sed that does not truncate output... /bin/sed
checking for gawk... (cached) gawk
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
checking for perl... perl
checking for python... python
checking for gcc... gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of gcc... none
checking timeout for automatic tests... none
checking whether to build test timeout code... no
configure: creating ./config.status
config.status: creating Makefile
config.status: executing depfiles commands
==============================================================================
=== Final remarks ===
==============================================================================
Summary of important options:
* C compiler : gnu version 4.4
* Fortran compiler: gnu version 4.4
* architecture : intel xeon (64 bits)
* debugging : basic
* optimizations : standard
* MPI enabled : yes
* MPI-IO enabled : yes
* GPU enabled : no (none)
* TRIO flavor = none
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = netlib (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = none (libs: ignored)
* MATH flavor = none (libs: ignored)
* DFT flavor =
Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")
I then ran make:
Code: Select all
make mj4 >& makelog.log No errors occurred, and there are no warnings in makelog.log.
However, when I attempt to run the basic tests, I get:
Code: Select all
make tests
make testin_1 testin_2 testin_3 testin_bigdft testin_etsf_io testin_libxc testin_wannier90
make[1]: Entering directory `/home/pakij/abinit-6.12.3/tests'
echo "Running built-in test in_1"
Running built-in test in_1
timeout="0" perl ./Scripts/run-basic-tests.pl built-in in_1 /home/pakij/abinit-6.12.3/tests
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
...same thing for every other test
Also, when I try to run the first tutorial:
Code: Select all
mpirun -np 4 abinit < t1x.files >& logNo wavefunction files are generated and the contents of log are:
Code: Select all
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
Your architecture is not able to handle 16, 8, 4 or 2-bytes FORTRAN file record markers!
You cannot use ABINIT and MPI/IO.
MPI_ERROR_STRING: MPI_ERR_UNKNOWN: unknown error
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 32236 on
node compphys.phys.rpi.edu exiting improperly. There are two reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
I have checked that the MPI compilers and mpirun are in /usr/lib64/openmpi/bin, and my normal compilers are gfortran 4.4.6, gcc 4.4.6, and g++ 4.4.6.
So for some reason Abinit and OpenMPI are not playing nicely. Do you have any suggestions on how to proceed? Please let me know if there is any other information that would be useful for diagnosing the problem. Thanks for your time!
