[Towhee-users] Problem making towhee with tramonto
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From: Babak F. <bk...@ya...> - 2008-10-08 18:59:04
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I have successfully configured towhee-6.0.0 with the options below, but it produces the following error during the 'make' command. Any suggestions will be appreciated.
Also, is there a capability with towhee to store and report the ensemble average of squared volume (<v^2>)?
--Babak
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./configure --prefix="/home/bfazel/babak/packages/towhee-6.0.0"--exec-prefix="/home/bfazel/babak/packages/towhee-6.0.0" --enable-safe-compare --enable-internal FFLAGS='-fbounds-check' F77=gfortran --enable-mpi --with-mpi-compilers="/opt/openmpi/bin" --with-mpi="/opt/openmpi" --with-mpi-incdir="/opt/openmpi/include" --with-mpi-libs="/opt/openmpi/libmpi.a" --enable-tramonto ADDLIB="/home/bfazel/babak/packages/tramonto-2.1/lib/libdft.a" --with-tramonto="/home/bfazel/babak/packages/tramonto-2.1"
[bfazel@cluster Source]$ make towhee
mpicc -fbounds-check -fbounds-check -o towhee accumulateaverages.o angle_b_distribution.o arbtocart.o arccos.o assemble.o atd_cbmc_setup.o atomshift.o averages.o bondorder.o buildhelix.o buildmolec.o buildna.o buildnanotube.o buildpartial.o buildprot.o carttoarb.o cbregrow.o checkhmatrix.o checkstruc.o compare.o comparestruc.o composite.o cone.o coneangle.o conrot.o createmolecule.o crossproduct.o ctrmas.o dihedral_distribution.o distance.o dotproduct.o energy.o energybiasbox.o energy_change.o engatom.o engtotal.o expon.o febias.o fielddft.o findrings.o findtarget.o gaussian.o gaussprob.o getcbangle.o getcbbond.o getcbdihed.o getelement.o getnbtype.o getweight.o globalaccess.o globaldata.o helixpos.o initaverages.o initconf.o initialize.o initloopclosure.o integratedgaussprob.o internal.o interpolate.o inverthmatrix.o lawofcosine.o leastsquares.o linclude.o loopclosure.o mainloop.o mapconf.o maxboxlength.o mimage.o minboxlength.o monomers.o openfile.o
pivot.o polyamber96.o polycharmm19.o polycharmm22.o polycharmm27.o polycharmm27na.o polyc19eef1.o polyoplsaa.o polysafetycheck.o putarbinbox.o putcartinbox.o pupdate.o qqassign.o quantumenergy.o radialpressure.o random.o readclassical.o readdatabase.o readinput.o readlammps.o readquantum.o readtowhee.o readutils.o recip.o recippress.o recipsum.o resetcbmc.o resetcoulomb.o reseteamrho.o rosenbluth.o rotate.o rotationmatrix.o rwcbmc.o rwconf.o rwexternal.o rwforcefield.o rwsafe.o scaled_potential.o schedule.o sdb_config.o sdb_rdstruct.o sdb_rdtoend.o sdb_strget.o sdb_strpars.o setcbdihed.o setclassical.o setmixterms.o setpotentiallogic.o sphere.o spline.o stresstensor.o swapmoves.o switch.o tail.o tranatom.o trancom.o uniformbox.o updatethreebondbias.o updatetrmaxdisp.o updatetwobondbias.o updatevolmaxdisp.o vangang.o vangle.o vbonbon.o vbond.o vcoulomb.o veefone.o vfield.o vimproper.o volnpt.o volnvt.o vonefive.o vsasa.o vembed.o vthreebody.o vtorsion.o
vtwobody.o wcoulomb.o writeangang.o writeangle.o writeaverages.o writebond.o writedlpoly.o writedynamo.o writeimproper.o writeintro.o writelammps.o writelcao.o writemovie.o writenonbond.o writeonefive.o writepdb.o writeruntime.o writetorsion.o writetowhee.o writetramonto.o wmultibody.o wtwobody.o control.o jobfarm.o globalinfo.o scaled_potential_data.o sturm.o towhee.o rex.o -L../lib -L/opt/openmpi/lib -L/usr/lib/gcc/i386-redhat-linux/4.1.2 -L/usr/lib/gcc/i386-redhat-linux/4.1.2/../../.. /home/bfazel/babak/packages/tramonto-2.1/lib/libdft.a -ldft -laztecoo -ltriutils -lifpack -lepetraext -lepetra -llapack -lblas -lmpi_f77 -lmpi -lopen-rte -lopen-pal -lrt -ldl -lnsl -lutil -lgfortranbegin -lgfortran -lm -lgcc_s -lpthread
/usr/bin/ld: cannot find -ldft
collect2: ld returned 1 exit status
make: *** [towhee] Error 1
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