[Wien] installation problem in parallel mode_Wien2k_13

Nathalie Soto Yamile ynathalies at gmail.com
Mon Jun 9 17:37:40 CEST 2014


Dear Prof Gavin Abo

I have tried to do what you suggested ; my options now are :

 Finding the required fftw2/3 mpi-files in /usr and /opt ....
 /opt/local/fftw3/lib/libfftw3_mpi.a
could not find fftw ....
Your present FFTW choice is: FFTW3
Please specify whether you want to use FFTW3 (default) or FFTW2  (FFTW3 /
FFTW2): FFTW3
Present FFTWpath is: /opt/local/fftw3
Please specify the ROOT-path of your FFTW installation (like /opt/fftw3):
/opt/local/fftw3

Your FFTW_LIBS are: -lfftw3_mpi -lfftw3 -L/opt/local/fftw3/lib
Your FFTW_OPT are : -DFFTW3 -I/opt/local/fftw3/include

 FFTW_LIB + FFTW_OPT    : -lfftw3_mpi -lfftw3 -L/opt/local/fftw3/lib  +
-DFFTW3 -I/opt/local/fftw3/include (already set)
     RP  RP_LIB(SCALAPACK+PBLAS): -lmkl_scalapack_lp64 -lmkl_blacs_lp64
$(R_LIBS)
     FP  FPOPT(par.comp.options): $(FOPT)
     MP  MPIRUN commando        : mpirun -np _NP_ -machinefile _HOSTS_
_EXEC_

after compilation i get:

Compile time errors (if any) were:
SRC_dstart/compile.msg:make[1]: *** [dstart_mpi] Error 1
SRC_dstart/compile.msg:make: *** [para] Error 2
SRC_hf/compile.msg:make[1]: *** [hf_mpi] Error 1
SRC_hf/compile.msg:make: *** [rp] Error 2
SRC_hf/compile.msg:make[1]: *** [hfc_mpi] Error 1
SRC_hf/compile.msg:make: *** [cp] Error 2
SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1
SRC_lapw0/compile.msg:make: *** [para] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [rp] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [cp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [cp] Error 2

and when i look at the filles ( hf for example ) :
..........
...............mpiifort  -o ./hfc_mpi abc.o add_hvxhfvc.o add_hvxsl_int.o
add_hvxsl_sph.o atpar.o c3fft.o calc_abc_hf.o calc_abc_sl.o calc_cnk.o calc_
exhf.o calc_exhfcc.o calc_exhfvc.o calc_exhfvv.o calc_gaunt.o calc_gaunt_
vxsl.o calc_h.o calc_ifflim.o calc_indices.o calc_overlap_sph.o calc_
rhovalvxsl.o calc_tdde.o calc_tddh.o calc_theta.o calc_ucuchucuc.o calc_uu.o
calc_uuchucu.o calc_uuchucuh.o calc_uuguu.o calc_uuguuh.o calc_uui.o calc_
uuih.o calc_uvxslug.o calc_vxsltheta.o cbcomb.o charg2.o charg3.o charge.o
cputim.o create_stars.o dergl.o diracout.o dvbes1.o errclr.o errflg.o
fftw_seq.o
gaunt.o getfft.o gtfnam.o hf.o ifflim.o inouh.o inth.o latgen.o lomain.o
make_alms.o modules.o msbi.o msbj.o msbk.o notri.o opnfs.o order_cnk.o
outerr.o outwin.o ph.o read_cnk.o read_input.o read_rhoval.o read_struct.o
read_uc.o read_vxsl.o read_weight.o rint13.o rotate.o rotdef.o setfft.o
sphbes.o sphi.o sphk.o stern.o t3j.o t3j0.o W2kinit.o W2kutils.o ylm.o -w90
-FR -O3 -mp1 -w -prec_div -pad -align -DINTEL_VML -traceback -I/opt/intel/
mkl/lib/intel64 -I/opt/intel/mkl/include -I/usr/local/include -I/opt/intel/
mkl/include/fftw -DFFTW3 -I/opt/local/fftw3/include -L/opt/intel/composer_xe
_2013.5.192/mkl/lib/ -pthread -lfftw3_mpi -lmkl_scalapack_ilp64
-lmkl_blacs_ilp64
-L/opt/intel/impi/4.1.3/lib64/ -lmpi

ld: cannot find -lfftw3_mpi

make[1]: *** [hfc_mpi] Error 1
make[1]: Leaving directory `/home/lpat/Documents/wien2k/SRC_hf'
make: *** [cp] Error 2

Now the error : ld: cannot find -lfftw have despaired .

please help me .
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