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):
SHELL = /bin/sh FC = ifort MPF = mpif90 CC = cc FOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include FPOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback DParallel = '-DParallel' FGEN = $(PARALLEL) LDFLAGS = $(FOPT) -L$(MKLROOT)/lib/intel64 -static -pthread 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 C_LIBS = $(R_LIBS) 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) CP_LIBS = $(RP_LIBS) And this is the erros I got at final of compilation: ifort -o ./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 atpar.o: In function `atpar_': atpar_tmp_.F:(.text+0x157e): undefined reference to `outwinb_' atpar_tmp_.F:(.text+0x19fa): undefined reference to `outwinb_' atpar_tmp_.F:(.text+0x1fc0): undefined reference to `outwinb_' atpar_tmp_.F:(.text+0x3a15): undefined reference to `outwinb_' inilpw.o: In function `inilpw_': inilpw.f:(.text+0x4e7): undefined reference to `find_nloat_' inilpw.f:(.text+0x18f1): undefined reference to `symmrot_' select.o: In function `select_': select.f:(.text+0x28a): undefined reference to `outwinb_' select.f:(.text+0x375): undefined reference to `outwinb_' select.f:(.text+0x48c): undefined reference to `outwinb_' select.f:(.text+0x630): undefined reference to `outwinb_' select.f:(.text+0x6f1): undefined reference to `outwinb_' select.o:select.f:(.text+0x7d1): more undefined references to `outwinb_' follow make[1]: ** [lapw1] Erro 1 make[1]: Saindo do diretório `/home/nilton/wien2k_14.2/SRC_lapw1' make: ** [real] Erro 2 As you can see above the problem is in the link stage. Curiously, the Makefile works very well on wien2k_10.1 2015-05-20 20:37 GMT-03:00 Gavin Abo <gs...@crimson.ua.edu>: > 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: > > current:R_LIBS:$(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a > -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a > $(MKLROOT)/lib/intel64/libmkl_intel_thread.a > $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -openmp -lpthread -lm > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- Nilton S. Dantas Diretor do Núcleo de Inovação Tecnológica Universidade Estadual de Feira de Santana Departamento de Ciências Exatas Área de Informática Av. Transnordestina, S/N, Bairro Novo Horizonte CEP 44036900 - Feira de Santana, Bahia, Brasil Tel./Fax +55 75 31618086 http://www2.ecomp.uefs.br/ <http://www.uefs.br/portal>
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