[Pw_forum] installing OpenMPI and Quantum Espresso on a Mac OS X system

[Michael Hayden]

Alain,

I tried your tweak but got the same result at the end of the make all:

mpif90  -o pw.x \
		pwscf.o ../Modules/atom.o ../Modules/autopilot.o ../Modules/ 
basic_algebra_routines.o ../Modules/berry_phase.o ../Modules/ 
bfgs_module.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/mp_global.o ../ 
Modules/mp_wave.o ../Modules/mp.o ../Modules/mp_base.o ../Modules/ 
metagga.o ../Modules/metadyn_base.o ../Modules/metadyn_io.o ../Modules/ 
metadyn_vars.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/ 
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/radial_grids.o ../ 
Modules/random_numbers.o ../Modules/read_cards.o ../Modules/ 
read_namelists.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/splinelib.o ../Modules/ 
stick_base.o ../Modules/task_groups.o ../Modules/timestep.o ../Modules/ 
upf_to_internal.o ../Modules/uspp.o ../Modules/upf.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  libpw.a ../flib/ 
ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a ../flib/ 
lapack.a ../flib/blas.a /usr/local/lib /usr/local/lib
ld: in /usr/local/lib, can't map file, errno=22
collect2: ld returned 1 exit status
make[1]: *** [pw.x] Error 1
make: *** [pw] Error 2

Just to be clear.  My paths are set in my .profile as such:
export PATH=/usr/local/bin:/usr/local/lib:$PATH
export LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH
export DYLD_LIBRARY_PATH=/usr/local/lib:$DYLD_LIBRARY_PATH

I have installed and compiled FFTW, gfortran, and OpenMPI in /usr/ 
local.  Espresso-4.0.5 is also installed in /usr/local


I agree that it looks like there is some problem with the libraries,  
but I don't see it.

still trying,
Mike





On Jun 12, 2009, at 9:56 AM, Alain Jacques wrote:
>
> A possible problem may come from a mixture with the blas and lapack  
> dylibs provided by Apple. If configure tells you that it finds  
> suitable linear algebra with -latlas and -lblas and a make pw stops  
> at the final link complaining about missing functions then I am  
> afraid it is the case. May I suggest to try the following tweak.  
> Configure (I use ./configure --prefix=/Users/Shared/Applications/ 
> espresso-4.0.5 MPIF90=mpif90 F90=gfortran F77=gfortran CC=gcc - with  
> correct PATH and DYLD_LIBRARY_PATH) then edit the make.sys and  
> modify the following 2 lines to the built-in libs BLAS_LIBS = ../ 
> flib/blas.a and LAPACK_LIBS = ../flib/lapack.a. Make pw and tell us  
> if it goes up to the end.
>> I compiled openmpi 1.3 on top of gfortran and Apple's gcc on MacOSX  
>> 10.5.7 (although I
>> really _strongly_ suggest you to use Intel compilers if you want to  
>> do serious
>> calculations on your Intel desktop... you may discover that you're  
>> wasting half of the
>> time just to save an hundred dollars or so), and I haven't met any  
>> problem.
>>
>

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