<div dir="ltr">Dear Gavin, first of all, thanks a lot for the help. I follow yours suggestions and this is the config of Makefile for lapw1 (please, just look at R_LIBS):<div><br></div><div><div>SHELL = /bin/sh</div><div>FC = ifort</div><div>MPF = mpif90</div><div>CC = cc</div><div>FOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include</div><div>FPOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback</div><div>DParallel = '-DParallel'</div><div>FGEN = $(PARALLEL)</div><div>LDFLAGS = $(FOPT) -L$(MKLROOT)/lib/intel64 -static -pthread</div><div>R_LIBS = $(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_cdft_core.a $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a $(MKLROOT)/lib/intel64/libmkl_blacs_lp64.a -Wl,--end-group -openmp -lpthread -lm</div><div>C_LIBS = $(R_LIBS)</div><div>RP_LIBS = /usr/local/fftw/lib/libfftw_mpi.a /usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/lib/libmpich.a $(R_LIBS)</div><div>CP_LIBS = $(RP_LIBS)</div></div><div><br></div><div>And this is the erros I got at final of compilation:</div><div><br></div><div><div><span style="background-color:rgb(255,0,0)">ifort -o</span> ./lapw1 abc.o atpar.o bandv1.o calkpt.o cbcomb.o coors.o cputim.o dblr2k.o dgeqrl.o dgewy.o dgewyg.o dlbrfg.o dsbein1.o dscgst.o dstebz2.o dsyevx2.o dsyr2m.o dsyrb4.o dsyrb5l.o dsyrdt4.o dsywyv.o dsyxev4.o dvbes1.o eisps.o errclr.o errflg.o forfhs.o gaunt1.o gaunt2.o gbass.o gtfnam.o hamilt.o hns.o horb.o inikpt.o inilpw.o lapw1.o latgen.o lmsort.o locdef.o lohns.o lopw.o matmm.o modules.o nn.o outerr.o outwin.o prtkpt.o prtres.o pzheevx16.o rdswar.o rint13.o rotate.o rotdef.o seclit.o seclr4.o seclr5.o select.o service.o setkpt.o setwar.o sphbes.o stern.o tapewf.o ustphx.o vectf.o warpin.o wfpnt.o wfpnt1.o ylm.o zhcgst.o zheevx2.o zher2m.o jacdavblock.o make_albl.o global2local.o par_syrk.o my_dsygst.o refblas_dtrsm.o seclit_par.o pdsyevx17.o pdstebz17.o pdgetri_my.o pzgetri_my.o W2kutils.o W2kinit.o -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -I/opt/intel/composerxe-2011.2.137/mkl/include/intel64/lp64 -I/opt/intel/composerxe-2011.2.137/mkl/include -L/opt/intel/composerxe-2011.2.137/mkl/lib/intel64 -static -pthread /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_blas95_lp64.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_lapack95_lp64.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_cdft_core.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_intel_thread.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_core.a /opt/intel/composerxe-2011.2.137/mkl/lib/intel64/libmkl_blacs_lp64.a -Wl,--end-group -openmp -lpthread -lm </div><div>atpar.o: In function `atpar_':</div><div>atpar_tmp_.F:(.text+0x157e): undefined reference to `outwinb_'</div><div>atpar_tmp_.F:(.text+0x19fa): undefined reference to `outwinb_'</div><div>atpar_tmp_.F:(.text+0x1fc0): undefined reference to `outwinb_'</div><div>atpar_tmp_.F:(.text+0x3a15): undefined reference to `outwinb_'</div><div>inilpw.o: In function `inilpw_':</div><div>inilpw.f:(.text+0x4e7): undefined reference to `find_nloat_'</div><div>inilpw.f:(.text+0x18f1): undefined reference to `symmrot_'</div><div>select.o: In function `select_':</div><div>select.f:(.text+0x28a): undefined reference to `outwinb_'</div><div>select.f:(.text+0x375): undefined reference to `outwinb_'</div><div>select.f:(.text+0x48c): undefined reference to `outwinb_'</div><div>select.f:(.text+0x630): undefined reference to `outwinb_'</div><div>select.f:(.text+0x6f1): undefined reference to `outwinb_'</div><div>select.o:select.f:(.text+0x7d1): more undefined references to `outwinb_' follow</div><div>make[1]: ** [lapw1] Erro 1</div><div>make[1]: Saindo do diretório `/home/nilton/wien2k_14.2/SRC_lapw1'</div><div>make: ** [real] Erro 2</div></div><div><br></div><div>As you can see above the problem is in the link stage. Curiously, the Makefile works very well on wien2k_10.1</div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-05-20 20:37 GMT-03:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>Sorry, there is a mistake in my
previous post. The "-Wl,--end-group" should go after
libmkl_core.a. The corrected settings are given below:<br>
<br>
current:R_LIBS:$(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a <font color="#ff0000">-Wl,--start-group</font>
$(MKLROOT)/lib/intel64/libmkl_intel_lp64.a
$(MKLROOT)/lib/intel64/libmkl_intel_thread.a
$(MKLROOT)/lib/intel64/libmkl_core.a <font color="#ff0000">-Wl,--end-group
</font><font color="#ff0000">-openmp -lpthread -lm</font><br>
</div>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature">Nilton S. Dantas<div>Diretor do Núcleo de Inovação Tecnológica<br>Universidade Estadual de Feira de Santana<br>Departamento de Ciências Exatas<br>Área de Informática<br>Av. Transnordestina, S/N, Bairro Novo Horizonte<br>CEP 44036900 - Feira de Santana, Bahia, Brasil<br>Tel./Fax +55 75 31618086<br><a href="http://www.uefs.br/portal" target="_blank">http://www2.ecomp.uefs.br/</a><br></div></div>
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