[DFTB-Plus-User] ARPACK linking problem

Mon Sep 16 09:23:02 CEST 2019

Dear Roberto,

I guess, you are missing some libraries. If you compiled your ARPACK
with a different compiler than the one you use to link the dftb+ binary
(e.g. ARPACK with gfortran, dftb+ with ifort), you would have to add
those libraries to the linking line as well. I gess, you are missing the
f2c library and probably also gfortran. But, I usually recommend to
compile all libraries with the same compiler.

  Best regards,

  Bálint

On 9/15/19 1:25 AM, Roberto Andrés González León wrote:
> Hi, I'm trying to compile DFTB+ 19.1 with ARPACK to do TDDFTB
> calculations. I installed the ARPACK library in a local directory since
> I don't have sudo permission. I'm using the ifort compiler to compile
> both the library and DFTB+ with the same flags (ifort -O2 -ip
> -standard-semantics -heap-arrays 10) and I set ARPACK_LIBS =
> /home/rgonzalez/software/ARPACK/libarpack.a . However, I keep getting
> the following series of errors:
> 
> ifort -O2 -ip -standard-semantics -heap-arrays 10
> -I/home/rgonzalez/software/dftbplus/_build/external/xmlf90
> -I/home/rgonzalez/software/dftbplus/_build/external/dftd3 -o dftbplus.o
> -c dftbplus.f90
> ifort  -o dftb+ dftbplus.o environment.o globalenv.o fileregistry.o
> timerarray.o timer.o assert.o io.o accuracy.o main.o potentials.o
> commontypes.o orbitals.o constants.o message.o parallelks.o linresp.o
> nonscc.o sk.o schedule.o slakocont.o slakoeqgrid.o interpolation.o scc.o
> blasroutines.o blas.o coulomb.o errorfunction.o dynneighlist.o
> latpointiter.o periodic.o sorting.o bisect.o linkedlist.o linkedlisti1.o
> linkedlistmc0.o linkedlistr2.o linkedlistr1.o linkedlistlc0.o
> linkedlistr0.o linkedlists0.o xmlf90.o linkedlisti0.o memman.o
> simplealgebra.o shortgamma.o shift.o externalcharges.o h5correction.o
> vdwdata.o charmanip.o fileid.o chargeconstr.o taggedoutput.o
> densedescr.o scalapackfx.o linrespgrad.o qm.o arpack.o eigensolver.o
> lapack.o linrespcommon.o onscorrection.o transcharges.o inputdata.o
> pmlocalisation.o sparse2dense.o repcont.o repspline.o reppoly.o
> elstatpot.o elecsolvers.o elsisolver.o energies.o spinorbit.o
> angmomentum.o elsiiface.o spin.o elecsolvertypes.o elsicsc.o xlbomd.o
> extlagrangian.o typegeometry.o lapackroutines.o dispersions.o dispuff.o
> dispiface.o dispcommon.o dispuffdata.o dispslaterkirkw.o dispdftd3.o
> dftd3.o wrapped_intrinsics.o mdintegrator.o velocityverlet.o
> thermostat.o berendsentherm.o mdcommon.o ranlux.o tempprofile.o
> andersentherm.o dummytherm.o nhctherm.o numderivs2.o etemp.o hermite.o
> factorial.o mainio.o hsdutils.o tokenreader.o xmlutils.o hsdparser.o
> sccinit.o formatout.o forcetypes.o eigenvects.o thirdorder.o charges.o
> orbitalequiv.o stress.o initprogram.o geoopt.o gdiis.o diismixer.o
> steepdesc.o conjgrad.o linemin.o lbfgs.o qdepextpotproxy.o
> qdepextpotgen.o rangeseparated.o f08math.o magmahelper.o andersonmixer.o
> elstattypes.o dftbplusu.o mixer.o broydenmixer.o simplemixer.o
> intrinsicpr.o randomgenpool.o repulsive.o densitymatrix.o
> elecconstraints.o forces.o populations.o parser.o unitconversion.o
> oldcompat.o hsdutils2.o typegeometryhsd.o inputconversion.o oldskdata.o
> hsdhelpers.o  -L/home/rgonzalez/software/dftbplus/_build/external/xmlf90
> -lxmlf90  -L/home/rgonzalez/software/dftbplus/_build/external/dftd3
> -ldftd3  
> -L/opt/intel/compilers_and_libraries_2019.0.117/linux/mkl/lib/intel64
> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
>  /home/rgonzalez/software/ARPACK/libarpack.a -liomp5
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaupd.o): In function
> `dsaupd_':
> dsaupd.f:(.text+0x160): undefined reference to `s_cmp'
> dsaupd.f:(.text+0x184): undefined reference to `s_cmp'
> dsaupd.f:(.text+0x1a4): undefined reference to `s_cmp'
> dsaupd.f:(.text+0x1c4): undefined reference to `s_cmp'
> dsaupd.f:(.text+0x1e4): undefined reference to `s_cmp'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaupd.o):dsaupd.f:(.text+0x2ad):
> more undefined references to `s_cmp' follow
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaupd.o): In function
> `dsaupd_':
> dsaupd.f:(.text+0x693): undefined reference to `s_wsfe'
> dsaupd.f:(.text+0x69d): undefined reference to `e_wsfe'
> dsaupd.f:(.text+0x6ac): undefined reference to `s_wsfe'
> dsaupd.f:(.text+0x6c5): undefined reference to `do_fio'
> dsaupd.f:(.text+0x6de): undefined reference to `do_fio'
> dsaupd.f:(.text+0x6f9): undefined reference to `do_fio'
> dsaupd.f:(.text+0x714): undefined reference to `do_fio'
> dsaupd.f:(.text+0x72f): undefined reference to `do_fio'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaupd.o):dsaupd.f:(.text+0x74a):
> more undefined references to `do_fio' follow
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaupd.o): In function
> `dsaupd_':
> dsaupd.f:(.text+0x87d): undefined reference to `e_wsfe'
> /home/rgonzalez/software/ARPACK/libarpack.a(dseupd.o): In function
> `dseupd_':
> dseupd.f:(.text+0x1d2): undefined reference to `s_cmp'
> dseupd.f:(.text+0x1fb): undefined reference to `s_cmp'
> dseupd.f:(.text+0x224): undefined reference to `s_cmp'
> dseupd.f:(.text+0x249): undefined reference to `s_cmp'
> dseupd.f:(.text+0x26e): undefined reference to `s_cmp'
> dseupd.f:(.text+0x35d): undefined reference to `s_copy'
> dseupd.f:(.text+0x388): undefined reference to `s_copy'
> dseupd.f:(.text+0x3b0): undefined reference to `s_copy'
> dseupd.f:(.text+0x3d8): undefined reference to `s_copy'
> dseupd.f:(.text+0x42a): undefined reference to `s_cmp'
> dseupd.f:(.text+0xd1b): undefined reference to `s_cmp'
> dseupd.f:(.text+0xe28): undefined reference to `s_cmp'
> dseupd.f:(.text+0xea7): undefined reference to `s_cmp'
> dseupd.f:(.text+0xf35): undefined reference to `s_cmp'
> /home/rgonzalez/software/ARPACK/libarpack.a(dseupd.o):dseupd.f:(.text+0x13ac):
> more undefined references to `s_cmp' follow
> /home/rgonzalez/software/ARPACK/libarpack.a(ivout.o): In function `ivout_':
> ivout.f:(.text+0x5f): undefined reference to `s_copy'
> ivout.f:(.text+0x96): undefined reference to `s_copy'
> ivout.f:(.text+0xb8): undefined reference to `s_wsfe'
> ivout.f:(.text+0xd0): undefined reference to `do_fio'
> ivout.f:(.text+0xe7): undefined reference to `do_fio'
> ivout.f:(.text+0xf1): undefined reference to `e_wsfe'
> ivout.f:(.text+0x180): undefined reference to `s_wsfe'
> ivout.f:(.text+0x199): undefined reference to `do_fio'
> ivout.f:(.text+0x1b2): undefined reference to `do_fio'
> ivout.f:(.text+0x1de): undefined reference to `do_fio'
> ivout.f:(.text+0x1ee): undefined reference to `e_wsfe'
> ivout.f:(.text+0x272): undefined reference to `s_wsfe'
> ivout.f:(.text+0x28b): undefined reference to `do_fio'
> ivout.f:(.text+0x2a4): undefined reference to `do_fio'
> ivout.f:(.text+0x2d0): undefined reference to `do_fio'
> ivout.f:(.text+0x2e0): undefined reference to `e_wsfe'
> ivout.f:(.text+0x35f): undefined reference to `s_wsfe'
> ivout.f:(.text+0x378): undefined reference to `do_fio'
> ivout.f:(.text+0x391): undefined reference to `do_fio'
> ivout.f:(.text+0x3bd): undefined reference to `do_fio'
> ivout.f:(.text+0x3cd): undefined reference to `e_wsfe'
> ivout.f:(.text+0x442): undefined reference to `s_wsfe'
> ivout.f:(.text+0x45b): undefined reference to `do_fio'
> ivout.f:(.text+0x474): undefined reference to `do_fio'
> ivout.f:(.text+0x4a0): undefined reference to `do_fio'
> ivout.f:(.text+0x4b0): undefined reference to `e_wsfe'
> ivout.f:(.text+0x530): undefined reference to `s_wsfe'
> ivout.f:(.text+0x549): undefined reference to `do_fio'
> ivout.f:(.text+0x562): undefined reference to `do_fio'
> ivout.f:(.text+0x58e): undefined reference to `do_fio'
> ivout.f:(.text+0x59e): undefined reference to `e_wsfe'
> ivout.f:(.text+0x622): undefined reference to `s_wsfe'
> ivout.f:(.text+0x63b): undefined reference to `do_fio'
> ivout.f:(.text+0x654): undefined reference to `do_fio'
> ivout.f:(.text+0x680): undefined reference to `do_fio'
> ivout.f:(.text+0x690): undefined reference to `e_wsfe'
> ivout.f:(.text+0x710): undefined reference to `s_wsfe'
> ivout.f:(.text+0x729): undefined reference to `do_fio'
> ivout.f:(.text+0x742): undefined reference to `do_fio'
> ivout.f:(.text+0x76e): undefined reference to `do_fio'
> ivout.f:(.text+0x77e): undefined reference to `e_wsfe'
> ivout.f:(.text+0x7f9): undefined reference to `s_wsfe'
> ivout.f:(.text+0x812): undefined reference to `do_fio'
> ivout.f:(.text+0x82b): undefined reference to `do_fio'
> ivout.f:(.text+0x857): undefined reference to `do_fio'
> ivout.f:(.text+0x867): undefined reference to `e_wsfe'
> ivout.f:(.text+0x891): undefined reference to `s_wsfe'
> ivout.f:(.text+0x89b): undefined reference to `e_wsfe'
> /home/rgonzalez/software/ARPACK/libarpack.a(dvout.o): In function `dvout_':
> dvout.f:(.text+0x5f): undefined reference to `s_copy'
> dvout.f:(.text+0x96): undefined reference to `s_copy'
> dvout.f:(.text+0xb8): undefined reference to `s_wsfe'
> dvout.f:(.text+0xd0): undefined reference to `do_fio'
> dvout.f:(.text+0xe7): undefined reference to `do_fio'
> dvout.f:(.text+0xf1): undefined reference to `e_wsfe'
> dvout.f:(.text+0x17f): undefined reference to `s_wsfe'
> dvout.f:(.text+0x198): undefined reference to `do_fio'
> dvout.f:(.text+0x1b1): undefined reference to `do_fio'
> dvout.f:(.text+0x1dd): undefined reference to `do_fio'
> dvout.f:(.text+0x1ed): undefined reference to `e_wsfe'
> dvout.f:(.text+0x261): undefined reference to `s_wsfe'
> dvout.f:(.text+0x27a): undefined reference to `do_fio'
> dvout.f:(.text+0x293): undefined reference to `do_fio'
> dvout.f:(.text+0x2bf): undefined reference to `do_fio'
> dvout.f:(.text+0x2cf): undefined reference to `e_wsfe'
> dvout.f:(.text+0x34d): undefined reference to `s_wsfe'
> dvout.f:(.text+0x366): undefined reference to `do_fio'
> dvout.f:(.text+0x37f): undefined reference to `do_fio'
> dvout.f:(.text+0x3ab): undefined reference to `do_fio'
> dvout.f:(.text+0x3bb): undefined reference to `e_wsfe'
> dvout.f:(.text+0x423): undefined reference to `s_wsfe'
> dvout.f:(.text+0x43c): undefined reference to `do_fio'
> dvout.f:(.text+0x455): undefined reference to `do_fio'
> dvout.f:(.text+0x481): undefined reference to `do_fio'
> dvout.f:(.text+0x491): undefined reference to `e_wsfe'
> dvout.f:(.text+0x511): undefined reference to `s_wsfe'
> dvout.f:(.text+0x52a): undefined reference to `do_fio'
> dvout.f:(.text+0x543): undefined reference to `do_fio'
> dvout.f:(.text+0x56f): undefined reference to `do_fio'
> dvout.f:(.text+0x57f): undefined reference to `e_wsfe'
> dvout.f:(.text+0x5f3): undefined reference to `s_wsfe'
> dvout.f:(.text+0x60c): undefined reference to `do_fio'
> dvout.f:(.text+0x625): undefined reference to `do_fio'
> dvout.f:(.text+0x651): undefined reference to `do_fio'
> dvout.f:(.text+0x661): undefined reference to `e_wsfe'
> dvout.f:(.text+0x6df): undefined reference to `s_wsfe'
> dvout.f:(.text+0x6f8): undefined reference to `do_fio'
> dvout.f:(.text+0x711): undefined reference to `do_fio'
> dvout.f:(.text+0x73d): undefined reference to `do_fio'
> dvout.f:(.text+0x74d): undefined reference to `e_wsfe'
> dvout.f:(.text+0x7c3): undefined reference to `s_wsfe'
> dvout.f:(.text+0x7dc): undefined reference to `do_fio'
> dvout.f:(.text+0x7f5): undefined reference to `do_fio'
> dvout.f:(.text+0x821): undefined reference to `do_fio'
> dvout.f:(.text+0x831): undefined reference to `e_wsfe'
> dvout.f:(.text+0x85b): undefined reference to `s_wsfe'
> dvout.f:(.text+0x865): undefined reference to `e_wsfe'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsortr.o): In function
> `dsortr_':
> dsortr.f:(.text+0x41): undefined reference to `s_cmp'
> dsortr.f:(.text+0xe0): undefined reference to `s_cmp'
> dsortr.f:(.text+0x1ac): undefined reference to `s_cmp'
> dsortr.f:(.text+0x24b): undefined reference to `s_cmp'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsaup2.o): In function
> `dsaup2_':
> dsaup2.f:(.text+0x851): undefined reference to `s_cmp'
> dsaup2.f:(.text+0x875): undefined reference to `s_copy'
> dsaup2.f:(.text+0x997): undefined reference to `s_cmp'
> dsaup2.f:(.text+0x9b7): undefined reference to `s_copy'
> dsaup2.f:(.text+0x9d8): undefined reference to `s_cmp'
> dsaup2.f:(.text+0x9f8): undefined reference to `s_copy'
> dsaup2.f:(.text+0xa19): undefined reference to `s_cmp'
> dsaup2.f:(.text+0xa39): undefined reference to `s_copy'
> dsaup2.f:(.text+0xa5a): undefined reference to `s_cmp'
> dsaup2.f:(.text+0xa7a): undefined reference to `s_copy'
> dsaup2.f:(.text+0xb21): undefined reference to `s_copy'
> dsaup2.f:(.text+0xbc8): undefined reference to `s_cmp'
> dsaup2.f:(.text+0xbe8): undefined reference to `s_copy'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsconv.o): In function
> `dsconv_':
> dsconv.f:(.text+0x21): undefined reference to `G77_second_0'
> dsconv.f:(.text+0xa4): undefined reference to `G77_second_0'
> /home/rgonzalez/software/ARPACK/libarpack.a(dsgets.o): In function
> `dsgets_':
> dsgets.f:(.text+0x6f): undefined reference to `s_cmp'
> /home/rgonzalez/software/ARPACK/libarpack.a(dmout.o): In function `dmout_':
> dmout.f:(.text+0x8d): undefined reference to `s_copy'
> dmout.f:(.text+0xd4): undefined reference to `s_copy'
> dmout.f:(.text+0xfe): undefined reference to `s_wsfe'
> dmout.f:(.text+0x115): undefined reference to `do_fio'
> dmout.f:(.text+0x12e): undefined reference to `do_fio'
> dmout.f:(.text+0x138): undefined reference to `e_wsfe'
> dmout.f:(.text+0x1eb): undefined reference to `s_wsfe'
> dmout.f:(.text+0x215): undefined reference to `do_fio'
> dmout.f:(.text+0x231): undefined reference to `do_fio'
> dmout.f:(.text+0x246): undefined reference to `e_wsfe'
> dmout.f:(.text+0x292): undefined reference to `s_wsfe'
> dmout.f:(.text+0x2ae): undefined reference to `do_fio'
> dmout.f:(.text+0x2ed): undefined reference to `do_fio'
> dmout.f:(.text+0x2fd): undefined reference to `e_wsfe'
> dmout.f:(.text+0x389): undefined reference to `s_wsfe'
> dmout.f:(.text+0x3b3): undefined reference to `do_fio'
> dmout.f:(.text+0x3cf): undefined reference to `do_fio'
> dmout.f:(.text+0x3e4): undefined reference to `e_wsfe'
> dmout.f:(.text+0x431): undefined reference to `s_wsfe'
> dmout.f:(.text+0x44d): undefined reference to `do_fio'
> dmout.f:(.text+0x48d): undefined reference to `do_fio'
> dmout.f:(.text+0x49d): undefined reference to `e_wsfe'
> dmout.f:(.text+0x533): undefined reference to `s_wsfe'
> dmout.f:(.text+0x55d): undefined reference to `do_fio'
> dmout.f:(.text+0x579): undefined reference to `do_fio'
> dmout.f:(.text+0x58e): undefined reference to `e_wsfe'
> dmout.f:(.text+0x5db): undefined reference to `s_wsfe'
> dmout.f:(.text+0x5f7): undefined reference to `do_fio'
> dmout.f:(.text+0x637): undefined reference to `do_fio'
> dmout.f:(.text+0x647): undefined reference to `e_wsfe'
> dmout.f:(.text+0x6c7): undefined reference to `s_wsfe'
> dmout.f:(.text+0x6f1): undefined reference to `do_fio'
> dmout.f:(.text+0x70d): undefined reference to `do_fio'
> dmout.f:(.text+0x722): undefined reference to `e_wsfe'
> dmout.f:(.text+0x76f): undefined reference to `s_wsfe'
> dmout.f:(.text+0x78b): undefined reference to `do_fio'
> dmout.f:(.text+0x7cb): undefined reference to `do_fio'
> dmout.f:(.text+0x7db): undefined reference to `e_wsfe'
> dmout.f:(.text+0x871): undefined reference to `s_wsfe'
> dmout.f:(.text+0x89b): undefined reference to `do_fio'
> dmout.f:(.text+0x8b7): undefined reference to `do_fio'
> dmout.f:(.text+0x8cc): undefined reference to `e_wsfe'
> dmout.f:(.text+0x919): undefined reference to `s_wsfe'
> dmout.f:(.text+0x935): undefined reference to `do_fio'
> dmout.f:(.text+0x975): undefined reference to `do_fio'
> dmout.f:(.text+0x985): undefined reference to `e_wsfe'
> dmout.f:(.text+0xa0b): undefined reference to `s_wsfe'
> dmout.f:(.text+0xa35): undefined reference to `do_fio'
> dmout.f:(.text+0xa51): undefined reference to `do_fio'
> dmout.f:(.text+0xa66): undefined reference to `e_wsfe'
> dmout.f:(.text+0xab3): undefined reference to `s_wsfe'
> dmout.f:(.text+0xacf): undefined reference to `do_fio'
> dmout.f:(.text+0xb0f): undefined reference to `do_fio'
> dmout.f:(.text+0xb1f): undefined reference to `e_wsfe'
> dmout.f:(.text+0xbb4): undefined reference to `s_wsfe'
> dmout.f:(.text+0xbde): undefined reference to `do_fio'
> dmout.f:(.text+0xbfa): undefined reference to `do_fio'
> dmout.f:(.text+0xc0f): undefined reference to `e_wsfe'
> dmout.f:(.text+0xc5c): undefined reference to `s_wsfe'
> dmout.f:(.text+0xc78): undefined reference to `do_fio'
> dmout.f:(.text+0xcb8): undefined reference to `do_fio'
> dmout.f:(.text+0xcc8): undefined reference to `e_wsfe'
> dmout.f:(.text+0xd55): undefined reference to `s_wsfe'
> dmout.f:(.text+0xd7f): undefined reference to `do_fio'
> dmout.f:(.text+0xd9b): undefined reference to `do_fio'
> dmout.f:(.text+0xdb0): undefined reference to `e_wsfe'
> dmout.f:(.text+0xdfd): undefined reference to `s_wsfe'
> dmout.f:(.text+0xe19): undefined reference to `do_fio'
> dmout.f:(.text+0xe59): undefined reference to `do_fio'
> dmout.f:(.text+0xe69): undefined reference to `e_wsfe'
> dmout.f:(.text+0xea7): undefined reference to `s_wsfe'
> dmout.f:(.text+0xeb1): undefined reference to `e_wsfe'
> make[1]: *** [dftb+] Error 1
> rm parallelks.f90 magmahelper.f90 hsdutils.f90 slakoeqgrid.f90 sk.f90
> typegeometry.f90 geoopt.f90 linkedlisti0.f90 elecconstraints.f90
> onscorrection.f90 lbfgs.f90 linkedlistr0.f90 spin.f90 bisect.f90
> lapack.f90 xlbomd.f90 mainio.f90 vdwdata.f90 factorial.f90
> intrinsicpr.f90 elstattypes.f90 forcetypes.f90 formatout.f90
> angmomentum.f90 elstatpot.f90 linkedlistmc0.f90 inputdata.f90
> unitconversion.f90 populations.f90 elecsolvertypes.f90 forces.f90
> linkedlistr1.f90 potentials.f90 lapackroutines.f90 globalenv.f90
> xmlutils.f90 repcont.f90 coulomb.f90 linrespgrad.f90 dftbplusu.f90
> assert.f90 nonscc.f90 velocityverlet.f90 etemp.f90 hsdhelpers.f90
> xmlf90.f90 repulsive.f90 densedescr.f90 stress.f90 elsiiface.f90
> repspline.f90 environment.f90 timer.f90 elsisolver.f90 transcharges.f90
> mixer.f90 dynneighlist.f90 andersonmixer.f90 taggedoutput.f90 arpack.f90
> linkedlistlc0.f90 eigensolver.f90 charges.f90 dispersions.f90 fileid.f90
> qm.f90 sccinit.f90 dispdftd3.f90 fileregistry.f90 mdcommon.f90
> linkedlist.f90 dispiface.f90 accuracy.f90 scalapackfx.f90 timerarray.f90
> errorfunction.f90 linkedlistr2.f90 tempprofile.f90 linkedlisti1.f90
> numderivs2.f90 wrapped_intrinsics.f90 h5correction.f90 nhctherm.f90
> memman.f90 pmlocalisation.f90 extlagrangian.f90 spinorbit.f90
> shortgamma.f90 dftd3.f90 charmanip.f90 steepdesc.f90 elecsolvers.f90
> randomgenpool.f90 tokenreader.f90 hsdparser.f90 eigenvects.f90
> dispcommon.f90 diismixer.f90 dftbplus.f90 chargeconstr.f90
> inputconversion.f90 initprogram.f90 parser.f90 scc.f90 orbitalequiv.f90
> main.f90 linemin.f90 andersentherm.f90 commontypes.f90 io.f90
> latpointiter.f90 linresp.f90 typegeometryhsd.f90 energies.f90
> dummytherm.f90 linrespcommon.f90 reppoly.f90 dispslaterkirkw.f90
> berendsentherm.f90 externalcharges.f90 interpolation.f90 slakocont.f90
> periodic.f90 message.f90 dispuffdata.f90 f08math.f90 thermostat.f90
> elsicsc.f90 linkedlists0.f90 hsdutils2.f90 dispuff.f90 mdintegrator.f90
> ranlux.f90 simplemixer.f90 oldcompat.f90 simplealgebra.f90 shift.f90
> densitymatrix.f90 orbitals.f90 rangeseparated.f90 broydenmixer.f90
> oldskdata.f90 gdiis.f90 hermite.f90 qdepextpotgen.f90 blasroutines.f90
> sparse2dense.f90 conjgrad.f90 qdepextpotproxy.f90 sorting.f90 blas.f90
> schedule.f90 constants.f90 thirdorder.f90
> make[1]: Leaving directory
> `/home/rgonzalez/software/dftbplus/_build/prog/dftb+'
> make: *** [dftb+] Error 2
> 
> Can you provide some help with this compilation?
> 
> Best regards, 
> 
> Roberto G.
> 
> <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
> 	Libre de virus. www.avast.com
> <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
> 
> 
> <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
> 
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
> 

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/

-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190916/34b2ced5/attachment.sig>