[Pw_forum] Compilation Error on BlueGene/L

[Raj Pandey]

Dear PWSCF developers and users,

I ran the configure script on BlueGene/L:

./configure MPIF90=mpixlf90 CC=mpixlc LD=mpixlf90
BLAS_LIBS="/bgl/local/lib/libblas440.a"
LAPACK_LIBS="/bgl/local/lib/liblapack440.a"
FFT_LIBS="/opt/ibmmath/essl/4.2/lib/libesslbg.a"

and then "make all", which takes about 30 - 40 minutes and returns with an
error. This time is long compared to for example a successful compilation on
X86 machines, typically 15-20 minutes on 8 cores blade. The following is the
error (tail of the log file):

** xsf_struct   === End of Compilation 1 ===
** xsf_fast_datagrid_3d   === End of Compilation 2 ===
** xsf_datagrid_2d   === End of Compilation 3 ===
** xsf_datagrid_3d   === End of Compilation 4 ===
1501-510  Compilation successful for file xsf.f90.
mpixlf90  -o average.x \
        average.o addusdens1d.o add_shift_cc.o add_shift_lc.o add_shift_us.o
atomic_wfc_nc_proj.o cft.o cgracsc.o compute_ppsi.o compute_sigma_avg.o
cube.o cubicspinsym.o dosg.o do_initial_state.o do_shift_ew.o d_matrix_nc.o
d_matrix_so.o elf.o ggen1d.o hexspinsym.o local_dos.o local_dos_mag.o
local_dos1d.o openfil_pp.o plot_io.o plot_whole_cell.o punch_plot.o
smallgk.o start_postproc.o stm.o stop_pp.o sym_band.o work_function.o
write_p_avg.o xsf.o  ../Modules/atom.o ../Modules/basic_algebra_routines.o
../Modules/cell_base.o ../Modules/check_stop.o ../Modules/clocks.o
../Modules/constants.o ../Modules/constraints_module.o
../Modules/control_flags.o ../Modules/descriptors.o ../Modules/dspev_drv.o
../Modules/electrons_base.o ../Modules/error_handler.o ../Modules/exc_t.o
../Modules/fft_base.o ../Modules/fft_parallel.o ../Modules/fft_scalar.o
../Modules/fft_types.o ../Modules/functionals.o ../Modules/io_files.o
../Modules/io_global.o ../Modules/ions_base.o ../Modules/input_parameters.o
../Modules/kind.o ../Modules/mp_global.o ../Modules/mp_wave.o
../Modules/mp.o ../Modules/mp_base.o ../Modules/metagga.o
../Modules/parallel_include.o ../Modules/parameters.o ../Modules/parser.o
../Modules/paw_variables.o ../Modules/printout_base.o
../Modules/pseudo_types.o ../Modules/ptoolkit.o ../Modules/random_numbers.o
../Modules/radial_grids.o ../Modules/read_ncpp.o ../Modules/read_upf_v1.o
../Modules/read_upf_v2.o ../Modules/read_uspp.o ../Modules/recvec.o
../Modules/shmem_include.o ../Modules/stick_base.o ../Modules/splinelib.o
../Modules/task_groups.o ../Modules/timestep.o ../Modules/upf_to_internal.o
../Modules/upf.o ../Modules/uspp.o ../Modules/version.o ../Modules/vxc_t.o
../Modules/vxcgc.o ../Modules/wavefunctions.o ../Modules/wannier.o
../Modules/write_upf_v2.o ../Modules/xml_io_base.o ../Modules/zhpev_drv.o
../PW/libpw.a ../flib/ptools.a ../flib/flib.a ../clib/clib.a
../iotk/src/libiotk.a /bgl/local/lib/liblapack440.a
/bgl/local/lib/libblas440.a /opt/ibmmath/essl/4.2/lib/libesslbg.a
../PW/libpw.a(stop_run.o): In function `stop_run':
: undefined reference to `__path_io_routines_NMOD_io_path_stop'
../PW/libpw.a(stop_run.o): In function `stop_run':
: undefined reference to `__metadyn_vars_NMOD_deallocate_metadyn_vars'
../PW/libpw.a(stop_run.o): In function `stop_run':
: undefined reference to `__path_variables_NMOD_path_deallocation'
make[1]: *** [average.x] Error 1
make[1]: Leaving directory `/gsa/yktgsa-h1/00/rajapand/espresso-4.0.5/PP'
make: *** [pp] Error 2


I will greatly appreciate any help/suggestion.

Thanks,

Rajan K. Pandey

IBM India SRDC,
D3 First Floor,
Nagawara, Outer Ring Road,
Bangalore - 560045
INDIA
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