ABINIT Discussion Forums

Hi-

I have been struggling to get a parallel version of abinit compiled such that it can properly hand fft and band parallelization. I have had no problem getting it to parallelize over k-points, but activating npband seems to be a poison pill. I am trying to do defect supercell calculations for MgSiO3 perovskite, which has a large enough cell to require fft parallelization due to memory limitations (since we have 12 gigs of memory per 8 processor core). I am using abinit 6.6.3 and compiling with the updated fortran compiler 11.1.075 and using the mkl linear algebra libraries (openmpi was also compiled using the same version of ifort). The system admin and I have tried many different ways of compiling, and none have worked (older ifort, w/ or w/out mkl, etc...). Based on forum posts, our most recent try was configured with the following command:

../configure --enable-64bit-flags --enable-mpi --enable-mpi-io --with-linalg-flavor=mkl --with-linalg-incs="-I/share/apps/intel/Compiler/11.1/075/mkl/include" --with-linalg-libs="-L/share/apps/intel/Compiler/11.1/075/mkl/lib/em64t -lmkl_intel_lp64 -lmkl_blacs_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lmkl_blas95_lp64 -lmkl_lapack" --with-mpi-prefix=/share/apps/openmpi-intel11.1.075/

This results in a successful configuration that also compiles. With that binary, I can run jobs with only kpt parallelization. But when I try a job that needs fft and band parallelization, the job hangs and exits within one or a few iterations. I have tried running the code with both ethernet and myrinet (the standard on our cluster), and this changes the error message but the job still fails.

Below I have copied the end of the failed job log files and the output of the config script. I have also attached my input file. I would greatly appreciate any help you can give me !!!

Best,
Aaron Wolf

==============
With ethernet, the job hangs with a connection timed out within a few iterations:
==============
ITER STEP NUMBER 4
vtorho : nnsclo_now= 1, note that nnsclo,dbl_nnsclo,istep= 0 0 4
starting lobpcg, with nblockbd,mpi_enreg%nproc_band 45 6
[compute-16-11.local][[51595,1],234][btl_tcp_frag.c:214:mca_btl_tcp_frag_recv] mca_btl_tcp_frag_recv: readv failed: Connection timed out (110)
[compute-17-35.local][[51595,1],18][btl_tcp_frag.c:214:mca_btl_tcp_frag_recv] mca_btl_tcp_frag_recv: readv failed: Connection timed out (110)
mpirun: abort is already in progress...hit ctrl-c again to forcibly terminate

==============
With myrinet, the job will hang and quit after only the first iteration:
==============
ITER STEP NUMBER 1
vtorho : nnsclo_now= 2, note that nnsclo,dbl_nnsclo,istep= 0 0 1
starting lobpcg, with nblockbd,mpi_enreg%nproc_band 135 2
mx__register_recv: failed with error -15
MX: assertion: <<mx__register failed>> failed at line 303, file ./../mx__lib.c
--------------------------------------------------------------------------
mpirun has exited due to process rank 78 with PID 7038 on
node compute-23-31 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
libc.so.6 0000003ACD8CAE46 Unknown Unknown Unknown
libopen-pal.so.0 00002AED15E75B1C Unknown Unknown Unknown
libopen-pal.so.0 00002AED15E726E7 Unknown Unknown Unknown
libopen-pal.so.0 00002AED15E65F1C Unknown Unknown Unknown
libmpi.so.0 00002AED15951336 Unknown Unknown Unknown
mca_coll_tuned.so 00002AED1B09253B Unknown Unknown Unknown
mca_coll_tuned.so 00002AED1B09AA9E Unknown Unknown Unknown
(continuing cascade of error mesages....)


configOutput:
==============================================================================
=== 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 6.6.3
configure: M4 010414 - Autoconf 026500 - Automake 011100 - Libtool 020204
configure: reporting user interface changes:
configure: * --enable-all-plugins removed
configure: * --enable-atompaw removed
configure: === please use --with-dft-flavor instead ===
configure: * --enable-bigdft removed
configure: === please use --with-dft-flavor instead ===
configure: * new option --enable-connectors is available
configure: * --enable-dft removed
configure: === please use --with-dft-flavor instead ===
configure: * --enable-etsf-io removed
configure: === please use --with-trio-flavor instead ===
configure: * new option --enable-fallbacks is available
configure: * --enable-fft removed
configure: === please use --with-fft-flavor instead ===
configure: * --enable-fox removed
configure: === please use --with-trio-flavor instead ===
configure: * --enable-libxc removed
configure: === please use --with-dft-flavor instead ===
configure: * --enable-linalg removed
configure: === please use --with-linalg-flavor instead ===
configure: * --enable-math removed
configure: === please use --with-math-flavor instead ===
configure: * --enable-mpi-io-test removed
configure: * --enable-netcdf removed
configure: === please use --with-trio-flavor instead ===
configure: * new option --enable-pkg-check is available
configure: * --enable-scalapack removed
configure: === please use --with-linalg-flavor instead ===
configure: * --enable-timer removed
configure: === please use --with-timer-flavor instead ===
configure: * --enable-trio removed
configure: === please use --with-trio-flavor instead ===
configure: * --enable-wannier90 removed
configure: === please use --with-dft-flavor instead ===
configure: * new option --with-atompaw-bins is available
configure: * --with-atompaw-includes renamed --with-atompaw-incs
configure: * --with-bigdft-includes renamed --with-bigdft-incs
configure: * --with-dft-incs removed
configure: * --with-dft-libs removed
configure: * --with-etsf-io-includes renamed --with-etsf-io-incs
configure: * --with-plugins-tardir renamed --with-fallbacks-tardir
configure: * --with-fox-includes renamed --with-fox-incs
configure: * --with-gpu-includes renamed --with-gpu-incs
configure: * --with-libxc-includes renamed --with-libxc-incs
configure: * --with-linalg-includes renamed --with-linalg-incs
configure: * --with-mpi-includes renamed --with-mpi-incs
configure: * --with-netcdf-includes renamed --with-netcdf-incs
configure: * --with-plugins-prefix removed
configure: * --with-timer-includes renamed --with-timer-incs
configure: * --with-trio-incs removed
configure: * --with-trio-libs removed
configure: * --with-wannier90 renamed --with-wannier90-bins
configure: * --with-wannier90-includes renamed --with-wannier90-incs

==============================================================================
=== Option consistency checking ===
==============================================================================

configure: checking consistency of library-related options
configure: |---> all OK
configure:
configure: checking consistency of plug-in options
configure: |---> all OK
configure:
configure: checking consistency of experimental options
configure: |---> all OK
configure:
configure: |---> all OK
configure:
configure: parsing command-line options

==============================================================================
=== Connector startup ===
==============================================================================

configure: Initializing MPI support
configure: looking for MPI in /share/apps/openmpi-intel11.1.075/
checking for a MPI C compiler... /share/apps/openmpi-intel11.1.075//bin/mpicc
checking for a MPI C++ compiler... /share/apps/openmpi-intel11.1.075//bin/mpicxx
checking for a MPI Fortran compiler... /share/apps/openmpi-intel11.1.075//bin/mpif90
checking for a MPI runner... /share/apps/openmpi-intel11.1.075//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 dvips... dvips
checking for dvipdf... dvipdf
checking for latex... latex
checking for markdown... no
checking for patch... patch
checking for ps2pdf... ps2pdf
checking for tar... tar
checking for wget... wget
checking for curl... curl
configure: using internal version of MarkDown

==============================================================================
=== C support ===
==============================================================================

checking for gcc... /share/apps/openmpi-intel11.1.075//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 /share/apps/openmpi-intel11.1.075//bin/mpicc accepts -g... yes
checking for /share/apps/openmpi-intel11.1.075//bin/mpicc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of /share/apps/openmpi-intel11.1.075//bin/mpicc... gcc3
checking how to run the C preprocessor... /share/apps/openmpi-intel11.1.075//bin/mpicc -E
checking which type of compiler we have... intel 11.1
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 /share/apps/openmpi-intel11.1.075//bin/mpicxx accepts -g... yes
checking dependency style of /share/apps/openmpi-intel11.1.075//bin/mpicxx... gcc3
checking which type of C++ compiler we have... intel 11.1

==============================================================================
=== Fortran support ===
==============================================================================

checking whether we are using the GNU Fortran compiler... no
checking whether /share/apps/openmpi-intel11.1.075//bin/mpif90 accepts -g... yes
checking which type of Fortran compiler we have... intel 11.1
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 /share/apps/openmpi-intel11.1.075//bin/mpif90... -v
checking for Fortran libraries of /share/apps/openmpi-intel11.1.075//bin/mpif90... -L/share/apps//openmpi-intel11.1.075/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -lnsl -lutil -L//share/apps/intel/Compiler/11.1/075/lib/intel64 -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../.. -L/lib64 -L/lib -L/usr/lib64 -L/usr/lib -lifport -lifcoremt -limf -lsvml -lm -lipgo -lirc -lpthread -lirc_s
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/python2.4
checking for bzr... bzr
checking for Python NumPy headers... not found
checking numarray/arrayobject.h usability... no
checking numarray/arrayobject.h presence... no
checking for numarray/arrayobject.h... no

==============================================================================
=== 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... intel/default/default
checking which xpp hints to apply... none/none/none
checking which cxx hints to apply... intel/default/default
checking which fpp hints to apply... default/default/default
checking which fc hints to apply... intel/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... none/none/none
checking which cxx debug flags to apply... none/none/none
checking which fc debug flags to apply... intel/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... intel/default/default
checking which cxx optimizations to apply... intel/default/default
checking which fc optimizations to apply... intel/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... yes
checking for user-defined 64-bit flags...
checking for 64-bit C preprocessor flags... none
checking for 64-bit C flags... none
checking for 64-bit C++ flags... none
checking for 64-bit Fortran flags... none
checking for 64-bit archiver flags... none

==============================================================================
=== 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 malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.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 mcheck.h usability... yes
checking mcheck.h presence... yes
checking for mcheck.h... yes
checking for abort... 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()... no
checking whether the Fortran compiler accepts getenv()... yes
checking whether the Fortran compiler accepts getpid()... yes
checking whether the Fortran compiler accepts the null() intrinsic... yes
checking whether the Fortran compiler accepts quadruple integers... no
checking whether the Fortran compiler accepts long lines... no
checking whether the Fortran compiler accepts etime()... yes
checking whether to use C clock for timings... no

==============================================================================
=== Connectors / Fallbacks ===
==============================================================================

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 to activate GPU support... no
checking for the requested transferable I/O support... netcdf+etsf_io
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... -lnetcdf
checking for library containing nf_open... -lnetcdff
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal netcdf version
configure: WARNING: ETSF_IO requires missing NetCDF support
configure: WARNING: falling back to internal etsf_io version
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking for the actual timer support... abinit
configure: WARNING: setting linear algebra flavor to 'custom'
checking for the requested linear algebra support... custom
checking for BLAS support in specified libraries... yes
checking for LAPACK support in specified libraries... yes
checking for BLACS support in specified libraries... yes
checking for ScaLAPACK support in specified libraries... no
checking whether we have a serial linear algebra support... yes
checking whether we have a parallel linear algebra support... no
checking for the actual linear algebra support... custom
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... atompaw+bigdft+libxc+wannier90
checking xc.h usability... no
checking xc.h presence... no
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... no
checking for xc_funcs.h... no
checking for library containing xc_func_init... no
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal libxc version
configure: WARNING: AtomPAW recommends missing LibXC support
checking for atompaw... no
checking for graphatom... no
configure: WARNING: falling back to internal atompaw version
configure: WARNING: BigDFT requires missing LibXC support
configure: WARNING: falling back to internal bigdft version
checking for wannier.x... no
checking for wannier90.x... no
checking for library containing wannier_run... no
configure: WARNING: falling back to internal wannier90 version
checking for the actual DFT support... libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback
configure: using former plugins as a temporary workaround
configure: fallbacks to enable => atompaw bigdft etsf_io libxc netcdf wannier90
checking whether to build atompaw... yes
checking whether to build bigdft... yes
checking whether to build etsf_io... yes
checking whether to build fox... no
checking whether to build libxc... yes
checking whether to build linalg... no
checking whether to build netcdf... yes
checking whether to build wannier90... yes
configure: using tarball repository /home/awolf/.abinit/tarballs
checking whether to enable the LINALG fallback... no
checking whether to build the LINALG fallback... no
checking whether to enable the FOX fallback... no
checking whether to build the FOX fallback... no
checking for a source tarball of NETCDF... yes
checking for md5sum... md5sum
configure: tarball MD5 check succeeded
configure: applying NetCDF tricks (vendor: intel, version: 11.1)
checking whether to enable the NETCDF fallback... yes
checking whether to build the NETCDF fallback... yes
checking for a source tarball of ETSF_IO... yes
configure: tarball MD5 check succeeded
configure: applying ETSF_IO tricks (vendor: intel, version: 11.1)
checking whether to enable the ETSF_IO fallback... yes
checking whether to build the ETSF_IO fallback... yes
checking for a source tarball of LIBXC... yes
configure: tarball MD5 check succeeded
configure: applying LIBXC tricks
checking whether to enable the LIBXC fallback... yes
checking whether to build the LIBXC fallback... yes
checking for a source tarball of ATOMPAW... yes
configure: tarball MD5 check succeeded
configure: applying AtomPAW tricks (vendor: intel, version: 11.1)
checking whether to enable the ATOMPAW fallback... yes
checking whether to build the ATOMPAW fallback... yes
checking for a source tarball of BIGDFT... yes
configure: tarball MD5 check succeeded
configure: applying BigDFT tricks (vendor: intel, version: 11.1)
checking whether to enable the BIGDFT fallback... yes
checking whether to build the BIGDFT fallback... yes
checking for a source tarball of WANNIER90... yes
configure: tarball MD5 check succeeded
configure: applying Wannier90 tricks (vendor: intel, version: 11.1)
checking whether to enable the WANNIER90 fallback... yes
checking whether to build the WANNIER90 fallback... yes

==============================================================================
=== Nightly builds ===
==============================================================================

checking whether to build test timeout code... no
checking timeout for automatic tests... none

==============================================================================
=== Experimental developments ===
==============================================================================

checking whether to enable bindings... no
checking whether to enable BSE unpacking... no
checking whether to enable CLib... no
checking whether to build exports... no
checking whether to accelerate 'make check'... no
checking whether to enable GW cut-off... no
checking whether to enable GW double-precision calculations... no
checking whether to enable optimal GW... no
checking whether to enable GW wrapper... no
checking whether to activate maintainer checks... no
checking whether to use macroave... yes
checking whether to reduce 'make check' for packaging... no
checking whether to read input from stdin... yes
checking whether to activate Symmetric Multi-Processing... no
checking whether to activate ZDOTC and ZDOTU workaround... no

==============================================================================
=== Output ===
==============================================================================

configure: creating ./config.status
config.status: creating config.dump
config.status: creating config.mk
config.status: creating config.pc
config.status: creating config.sh
config.status: creating config/wrappers/wrap-fc
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/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_macroavnew_ext/Makefile
config.status: creating src/01_qespresso_ext/Makefile
config.status: creating src/02_clib/Makefile
config.status: creating src/10_defs/Makefile
config.status: creating src/12_hide_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_geomoptim/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/45_psp_parser/Makefile
config.status: creating src/47_xml/Makefile
config.status: creating src/49_gw_toolbox_oop/Makefile
config.status: creating src/50_abitypes_defs/Makefile
config.status: creating src/51_manage_cuda/Makefile
config.status: creating src/51_manage_mpi/Makefile
config.status: creating src/52_fft_mpi_noabirule/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_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 plugins/Makefile
config.status: creating plugins/atompaw/Makefile
config.status: creating plugins/bigdft/Makefile
config.status: creating plugins/etsf_io/Makefile
config.status: creating plugins/fox/Makefile
config.status: creating plugins/libxc/Makefile
config.status: creating plugins/linalg/Makefile
config.status: creating plugins/netcdf/Makefile
config.status: creating plugins/wannier90/Makefile
config.status: creating bindings/Makefile
config.status: creating bindings/parser/Makefile
config.status: creating doc/Makefile
config.status: creating tests/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

+--------------------------------------------------------------+
| About the Intel Fortran compiler |
+--------------------------------------------------------------+
| Your compiler will work properly only if the LD_LIBRARY_PATH |
| and INTEL_LICENSE_FILE environment variables are correctly |
| set-up. Please make sure that this is the case before |
| building ABINIT. |
| |
| In most cases it means sourcing a script in the Intel |
| compiler install directory, e.g.: |
| |
| . /opt/intel/fc/9.1/bin/ifortvars.sh |
| |
| for a Bourne-like shell (do not forget the leading dot), or |
| |
| source /opt/intel/fc/9.1/bin/ifortvars.csh |
| |
| for a C-like shell. |
| |
| If you do not know what this is all about, please refer to |
| the Intel documentation or ask your system administrator. |
| |
| Please note that the same holds for the Intel C and C++ |
| compilers. |
+--------------------------------------------------------------+


Summary of important options:

* MPI enabled: yes
* MPI-IO enabled: yes
* GPU enabled: no (none)

* TRIO flavor = netcdf-fallback+etsf_io-fallback
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = custom (libs: user-defined)
* FFT flavor = none (libs: ignored)
* MATH flavor = none (libs: ignored)
* DFT flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")