ABINIT Discussion Forums

Dear all,

Thanks to Alain and Yann for their advice on the compilation of the serial version of v.6.6.2. It was fine.
BTW, when I tried to compile v.6.6.2 with mpif90 (as follows, it worked with v.6.4.x):
mkdir tmp-mpi && cd tmp-mpi && ../configure --enable-mpi --with-mpi-prefix=/usr/local/mpich-intel91 --program-suffix="-mpi" --prefix="$HOME/hpc" && make && cd src/98_main && make install

I had the following error message (config.log attached in this post):
(snip)
Making all in 98_main
make[3]: Entering directory `/misc/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/src/98_main'
/usr/local/mpich-intel91/bin/mpif90 -free -module /home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/src/mods -O3 -arch pn4 -tune pn4 -xT -g -extend-source -vec-report0 -noaltparam -nofpscomp -g -extend-source -vec-report0 -noaltparam -nofpscomp -static-intel -static-libgcc -static-intel -static-libgcc -o abinit abinit-abinit.o -static-intel -static-libgcc ../../src/95_drive/lib95_drive.a ../../src/93_rdm/lib93_rdm.a ../../src/79_seqpar_mpi/lib79_seqpar_mpi.a ../../src/77_ddb/lib77_ddb.a ../../src/77_suscep/lib77_suscep.a ../../src/72_response/lib72_response.a ../../src/71_bse/lib71_bse.a ../../src/70_gw/lib70_gw.a ../../src/69_wfdesc/lib69_wfdesc.a ../../src/68_dmft/lib68_dmft.a ../../src/68_recursion/lib68_recursion.a ../../src/68_rsprc/lib68_rsprc.a ../../src/67_common/lib67_common.a ../../src/66_paw/lib66_paw.a ../../src/66_wfs/lib66_wfs.a ../../src/65_psp/lib65_psp.a ../../src/65_nonlocal/lib65_nonlocal.a ../../src/64_atompaw/lib64_atompaw.a ../../src/62_occeig/lib62_occeig.a ../../src/62_iowfdenpot/lib62_iowfdenpot.a ../../src/62_wvl_wfs/lib62_wvl_wfs.a ../../src/62_poisson/lib62_poisson.a ../../src/62_cg_noabirule/lib62_cg_noabirule.a ../../src/61_ionetcdf/lib61_ionetcdf.a ../../src/59_io_mpi/lib59_io_mpi.a ../../src/57_iovars/lib57_iovars.a ../../src/56_recipspace/lib56_recipspace.a ../../src/56_xc/lib56_xc.a ../../src/53_abiutil/lib53_abiutil.a ../../src/53_spacepar/lib53_spacepar.a ../../src/53_ffts/lib53_ffts.a ../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a ../../src/51_manage_mpi/lib51_manage_mpi.a ../../src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a ../../src/47_xml/lib47_xml.a ../../src/45_psp_parser/lib45_psp_parser.a ../../src/43_ptgroups/lib43_ptgroups.a ../../src/42_nlstrain/lib42_nlstrain.a ../../src/42_geometry/lib42_geometry.a ../../src/42_geomoptim/lib42_geomoptim.a ../../src/42_parser/lib42_parser.a ../../src/32_util/lib32_util.a ../../src/28_numeric_noabirule/lib28_numeric_noabirule.a ../../src/27_toolbox_oop/lib27_toolbox_oop.a ../../src/18_timing/lib18_timing.a ../../src/16_hideleave/lib16_hideleave.a ../../src/14_hidewrite/lib14_hidewrite.a ../../src/12_hide_mpi/lib12_hide_mpi.a ../../src/10_defs/lib10_defs.a ../../src/01_qespresso_ext/lib01_qespresso_ext.a ../../src/01_interfaces_ext/lib01_interfaces_ext.a -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/wannier90 -lwannier -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/bigdft -lbigdft -lpoissonsolver -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/libxc -lxc -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/etsf_io -letsf_io_low_level -letsf_io_utils -letsf_io -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/netcdf -lnetcdf -L/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/plugins/linalg -llapack -lblas -L/usr/local/mpich-intel91/lib -lmpichf90 -lmpich -lpthread -lrt -L/opt/intel/mkl/9.1/lib/em64t -L/opt/intel/fce/9.1/lib -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/ -L/usr/lib64 -lsvml -lifport -lifcore -limf -lm -lipgo -lirc -lirc_s -ldl -L/usr/local/mpich-intel91/lib -lmpichf90 -lmpich -lpthread -lrt -L/opt/intel/mkl/9.1/lib/em64t -L/opt/intel/fce/9.1/lib -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/ -L/usr/lib64 -lsvml -lifport -lifcore -limf -lm -lipgo -lirc -lirc_s -ldl
ifort: Command line warning: ignoring option '-static'; no argument required
ifort: Command line warning: ignoring option '-static'; no argument required
ifort: Command line warning: ignoring option '-static'; no argument required
../../src/12_hide_mpi/lib12_hide_mpi.a(m_xmpi.o)(.text+0x454a1): In function `xmpio_check_frmarkers':
../../../src/12_hide_mpi/m_xmpi.F90:1788: undefined reference to `mpi_type_create_struct_'
../../src/12_hide_mpi/lib12_hide_mpi.a(m_xmpi.o)(.text+0x46e54): In function `xmpio_write_frmarkers':
../../../src/12_hide_mpi/m_xmpi.F90:1964: undefined reference to `mpi_type_create_struct_'
../../src/12_hide_mpi/lib12_hide_mpi.a(m_xmpi.o)(.text+0x489f4): In function `xmpio_create_fherm_packed':
../../../src/12_hide_mpi/m_xmpi.F90:2183: undefined reference to `mpi_type_create_struct_'
../../src/12_hide_mpi/lib12_hide_mpi.a(m_xmpi.o)(.text+0x49541): In function `xmpio_create_coldistr_from_fherm_packed':
../../../src/12_hide_mpi/m_xmpi.F90:2323: undefined reference to `mpi_type_create_struct_'
make[3]: *** [abinit] Error 1
make[3]: Leaving directory `/misc/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/src/98_main'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/misc/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/misc/home/mmikami/ABINIT/abinit-6.6.2/tmp-mpi'
make: *** [all] Error 2

Any suggestions would be highly appreciated,
Masayoshi
(P.S. I was back home yesterday, safe and sound...)

Hello Masayoshi,

Glad to know that the travel went alright.

A possible explanation for the problem you encounter with version 6.6.2 is that your implementation of MPICH2 - quite outdated now - is incompatible with MPI-IO. This is enabled by default now when MPI is requested. May I suggest to restart from scratch i.e. reconfigure by adding --disable-mpi-io to your options to return back to the former bahavior. Any improvement?

Kind regards,

Alain

Bonjour Alain,

Merci! The compilation was completed with your suggestion (adding "--disable-mpi-io").

Best wishes,
Masayoshi