<div dir="ltr"><div><div>Dear Prof Gavin <span style="background:none repeat scroll 0% 0% yellow" class="">Abo</span><br><br>I have <span style="background:none repeat scroll 0% 0% yellow" class="">tried</span> to do what you <span style="background:none repeat scroll 0% 0% yellow" class="">suggested</span> ; my options now are :<br>
<br> Finding the required fftw2/3 <span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>-files in /<span style="background:none repeat scroll 0% 0% yellow" class="">usr</span> and /opt ....<br> /opt/local/fftw3/lib/libfftw3_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>.a<br>
</div><div>
could not find <span style="background:none repeat scroll 0% 0% yellow" class="">fftw</span> ....<br>Your present <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span> choice is: FFTW3<br>Please specify whether you want to use FFTW3 (default) or FFTW2  (FFTW3 / FFTW2): FFTW3<br>
Present <span style="background:none repeat scroll 0% 0% yellow" class="">FFTWpath</span> is: /opt/local/fftw3 <br>Please specify the ROOT-path of your <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span> installation (like /opt/fftw3): /opt/local/fftw3<br>

 <br>Your <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span>_LIBS are: -lfftw3_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span> -lfftw3 -L/opt/local/fftw3/lib <br>Your <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span>_OPT are : -DFFTW3 -I/opt/local/fftw3/include <br>
<br> <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span>_LIB + <span style="background:none repeat scroll 0% 0% yellow" class="">FFTW</span>_OPT    : -lfftw3_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span> -lfftw3 -L/opt/local/fftw3/lib  +  -DFFTW3 -I/opt/local/fftw3/include (already set)<br>

     RP  RP_LIB(<span style="background:none repeat scroll 0% 0% yellow" class="">SCALAPACK</span>+<span style="background:none repeat scroll 0% 0% yellow" class="">PBLAS</span>): -<span style="background:none repeat scroll 0% 0% yellow" class="">lmkl</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">scalapack</span>_lp64 -<span style="background:none repeat scroll 0% 0% yellow" class="">lmkl</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">blacs</span>_lp64 $(R_LIBS) <br>
     <span style="background:none repeat scroll 0% 0% yellow" class="">FP</span>  <span style="background:none repeat scroll 0% 0% yellow" class="">FPOPT</span>(par.comp.options): $(<span style="background:none repeat scroll 0% 0% yellow" class="">FOPT</span>)<br>
     MP  <span style="background:none repeat scroll 0% 0% yellow" class="">MPIRUN</span> commando        : <span style="background:none repeat scroll 0% 0% yellow" class="">mpirun</span> -<span style="background:none repeat scroll 0% 0% yellow" class="">np</span> _NP_ -<span style="background:none repeat scroll 0% 0% yellow" class="">machinefile</span> _HOSTS_ _EXEC_<br>
<br>after compilation i get: <br><br>Compile time errors (if any) were:<br><span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">dstart</span>/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">dstart</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">dstart</span>/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [para] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_hf/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [hf_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_hf/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_hf/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">hfc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_hf/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">cp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw0/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [lapw0_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw0/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [para] Error 2<br><span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw1/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [lapw1_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw1/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw1/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [lapw1c_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw1/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">cp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw2/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [lapw2_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw2/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">rp</span>] Error 2<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw2/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make[1]: *** [lapw2c_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_lapw2/compile.<span style="background:none repeat scroll 0% 0% yellow" class="">msg</span>:make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">cp</span>] Error 2<br>
<br></div><div>and when i look at the <span style="background:none repeat scroll 0% 0% yellow" class="">filles</span> ( hf for example ) :<br>..........<br>...............<span style="background:none repeat scroll 0% 0% yellow" class="">mpiifort</span>  -o ./<span style="background:none repeat scroll 0% 0% yellow" class="">hfc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span> <span style="background:none repeat scroll 0% 0% yellow" class="">abc</span>.o add_<span style="background:none repeat scroll 0% 0% yellow" class="">hvxhfvc</span>.o add_<span style="background:none repeat scroll 0% 0% yellow" class="">hvxsl</span>_int.o add_<span style="background:none repeat scroll 0% 0% yellow" class="">hvxsl</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">sph</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">atpar</span>.o c3fft.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">abc</span>_hf.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">abc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">sl</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">cnk</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">exhf</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">exhfcc</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">exhfvc</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">exhfvv</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_gaunt.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_gaunt_<span style="background:none repeat scroll 0% 0% yellow" class="">vxsl</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_h.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">ifflim</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_indices.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_overlap_<span style="background:none repeat scroll 0% 0% yellow" class="">sph</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">rhovalvxsl</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">tdde</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">tddh</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_theta.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">ucuchucuc</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uu</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uuchucu</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uuchucuh</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uuguu</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uuguuh</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uui</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uuih</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">uvxslug</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">calc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">vxsltheta</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">cbcomb</span>.o charg2.o charg3.o charge.o <span style="background:none repeat scroll 0% 0% yellow" class="">cputim</span>.o create_stars.o <span style="background:none repeat scroll 0% 0% yellow" class="">dergl</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">diracout</span>.o dvbes1.o <span style="background:none repeat scroll 0% 0% yellow" class="">errclr</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">errflg</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">fftw</span>_seq.o gaunt.o <span style="background:none repeat scroll 0% 0% yellow" class="">getfft</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">gtfnam</span>.o hf.o <span style="background:none repeat scroll 0% 0% yellow" class="">ifflim</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">inouh</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">inth</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">latgen</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">lomain</span>.o make_alms.o modules.o <span style="background:none repeat scroll 0% 0% yellow" class="">msbi</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">msbj</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">msbk</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">notri</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">opnfs</span>.o order_<span style="background:none repeat scroll 0% 0% yellow" class="">cnk</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">outerr</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">outwin</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">ph</span>.o read_<span style="background:none repeat scroll 0% 0% yellow" class="">cnk</span>.o read_input.o read_<span style="background:none repeat scroll 0% 0% yellow" class="">rhoval</span>.o read_<span style="background:none repeat scroll 0% 0% yellow" class="">struct</span>.o read_<span style="background:none repeat scroll 0% 0% yellow" class="">uc</span>.o read_<span style="background:none repeat scroll 0% 0% yellow" class="">vxsl</span>.o read_weight.o rint13.o rotate.o <span style="background:none repeat scroll 0% 0% yellow" class="">rotdef</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">setfft</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">sphbes</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">sphi</span>.o <span style="background:none repeat scroll 0% 0% yellow" class="">sphk</span>.o stern.o t3j.o t3j0.o W2kinit.o W2kutils.o <span style="background:none repeat scroll 0% 0% yellow" class="">ylm</span>.o -w90 -FR -O3 -mp1 -w -<span style="background:none repeat scroll 0% 0% yellow" class="">prec</span>_div -pad -align -<span style="background:none repeat scroll 0% 0% yellow" class="">DINTEL</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">VML</span> -<span style="background:none repeat scroll 0% 0% yellow" class="">traceback</span> -I/opt/<span style="background:none repeat scroll 0% 0% yellow" class="">intel</span>/<span style="background:none repeat scroll 0% 0% yellow" class="">mkl</span>/lib/intel64 -I/opt/<span style="background:none repeat scroll 0% 0% yellow" class="">intel</span>/<span style="background:none repeat scroll 0% 0% yellow" class="">mkl</span>/include -I/<span style="background:none repeat scroll 0% 0% yellow" class="">usr</span>/local/include -I/opt/<span style="background:none repeat scroll 0% 0% yellow" class="">intel</span>/<span style="background:none repeat scroll 0% 0% yellow" class="">mkl</span>/include/<span style="background:none repeat scroll 0% 0% yellow" class="">fftw</span> -DFFTW3 -I/opt/local/fftw3/include -L/opt/<span style="background:none repeat scroll 0% 0% yellow" class="">intel</span>/composer_<span style="background:none repeat scroll 0% 0% yellow" class="">xe</span>_2013.5.192/<span style="background:none repeat scroll 0% 0% yellow" class="">mkl</span>/lib/ -<span style="background:none repeat scroll 0% 0% yellow" class="">pthread</span> -lfftw3_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span> -<span style="background:none repeat scroll 0% 0% yellow" class="">lmkl</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">scalapack</span>_ilp64 -<span style="background:none repeat scroll 0% 0% yellow" class="">lmkl</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">blacs</span>_ilp64 -L/opt/<span style="background:none repeat scroll 0% 0% yellow" class="">intel</span>/<span style="background:none repeat scroll 0% 0% yellow" class="">impi</span>/4.1.3/lib64/ -<span style="background:none repeat scroll 0% 0% yellow" class="">lmpi</span> <br>
<br><span style="background:none repeat scroll 0% 0% yellow" class="">ld</span>: cannot find -lfftw3_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span><br><br>make[1]: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">hfc</span>_<span style="background:none repeat scroll 0% 0% yellow" class="">mpi</span>] Error 1<br>
make[1]: Leaving directory `/home/<span style="background:none repeat scroll 0% 0% yellow" class="">lpat</span>/Documents/wien2k/<span style="background:none repeat scroll 0% 0% yellow" class="">SRC</span>_hf&#39;<br>make: *** [<span style="background:none repeat scroll 0% 0% yellow" class="">cp</span>] Error 2 <br>
<br></div><div>Now the error : <span style="background:none repeat scroll 0% 0% yellow" class="">ld</span>: cannot find -<span style="background:none repeat scroll 0% 0% yellow" class="">lfftw</span> have <span style="background:none repeat scroll 0% 0% yellow" class="">despaired</span> .<br>
<br></div><div>please help me .<br></div><div><br></div></div></div>