[Pw_forum] install pwscf

leila salimi l.salimi at ph.iut.ac.ir
Fri Jun 26 14:40:42 CEST 2009


Hi everybody, 
I have been trying to install the code "espresso-4.0.5" on IBM pSeries 575, a clustered SMP (Symmetric Multiprocessing) system. 
When I issue ./configure , every things are OK. (configure: success). 
However, when I run (make pwall) I always get the error. 

mpfort  -o ph.x phonon.o \ 
        ../Modules/atom.o ../Modules/autopilot.o ../Modules/basic_algebra_routines.o ../Modules/bfgs_module.o ../Modules/berry_phase.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/input_parameters.o ../Modules/io_files.o ../Modules/io_global.o ../Modules/ions_base.o ../Modules/ions_nose.o ../Modules/kind.o ../Modules/metadyn_base.o ../Modules/metadyn_io.o ../Modules/metadyn_vars.o ../Modules/metagga.o ../Modules/mp_global.o ../Modules/mp_wave.o ../Modules/mp.o ../Modules/mp_base.o ../Modules/parallel_include.o ../Modules/parameters.o ../Modules/parser.o ../Modules/path_base.o ../Modules/path_formats.o ../Modules/path_variables.o ../Modules/path_opt_routines.o ../Modules/path_io_routines.o ../Modules/path_reparametrisation.o ../Modules/paw_variables.o ../Modules/printout_base.o ../Modules/pseudo_types.o ../Modules/ptoolkit.o ../Modules/radial_grids.o ../Modules/random_numbers.o ../Modules/read_cards.o ../Modules/read_namelists.o ../Modules/read_ncpp.o ../Modules/read_uspp.o ../Modules/read_upf_v1.o ../Modules/read_upf_v2.o ../Modules/recvec.o ../Modules/splinelib.o ../Modules/stick_base.o ../Modules/shmem_include.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/wave_base.o ../Modules/write_upf_v2.o ../Modules/xml_io_base.o ../Modules/zhpev_drv.o libph.a ../PW/libpw.a ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a /sara/sw/lapack/3.1.1/lib/liblapack.a /sara/sw/blas/1.0/lib/libblas.a /sara/sw/fftw3/3.1.2/lib/libfftw3f.a  -lmassvp4_64 -lmass_64 
/opt/ibmcmp/xlmass/5.0/lib64/libmass_64.a(erfc.s64.o): In function `_erfc': 
erfc.c:(.opd+0x0): multiple definition of `erfc' 
../flib/flib.a(erf.o):(.opd+0x18): first defined here 
ld: Warning: size of symbol `erfc' changed from 616 in ../flib/flib.a(erf.o) to 1256 in /opt/ibmcmp/xlmass/5.0/lib64/libmass_64.a(erfc.s64.o) 
make[1]: *** [ph.x] Error 1 
make[1]: Leaving directory `/gpfs/h04/mokhles/espresso-4.0.5/PH' 
make: *** [ph] Error 2 

when I check example03 with pw.x I get this error: 
from  cfft3d  : error #         1 
      no scalar fft driver specified 

Can someone give some solution to me? 

Leila Salimi 
Isfahan University of Technology, Iran



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