| 2:50:13 PM PDT - Mon, Jun 24th 2019 |
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Hey all,
I have been trying to compile Venus with the latest version of NWChem 6.8.1. But getting some errors in NWCHEM_LINK.f file regarding undefined reference. My log is showing the following error:
ifort -i8 -align -qopt-report-file=stderr -fimf-arch-consistency=true -O2 -g -fp-model source -o ven_nw.e -Wl,--start-group ADAMSM.o ANGVEL.o AXT.o BAREXC.o CENMAS.o CUBEND.o DANGLE.o DMBE.o DVDQ.o EBOND.o EIGN.o EIGOUT.o ENERGY.o ENMODE.o vFDATE.o FGMTRX.o FINAL.o FINLNJ.o FMTRX.o GAMA.o GFINAL.o MPATHO.o GHOST.o GINROT.o GLPAR.o GPATH.o GRCONV.o GWRITE.o HALPHA.o HBEND.o HEXP.o HFD.o HNONB.o HOMOQP.o HTAU.o INITEBK.o INITQP.o LENJ.o LEPS1.o LEPS2.o LMEXCT.o LMODE.o MORSE.o MPATH.o NMODE.o ORTHAN.o PARSN2.o PARTI.o POTEN.o RAND0.o RAND1.o RANDST.o READPT.o RELAX.o ROTATE.o ROTEN.o ROTN.o RUNGEK.o RYDBG.o SELECT.o STRET.o SURF.o SYBMOL.o TEST.o TETRA.o THRMAN.o VENUS.o VRR.o VRT.o VSN2.o VTT.o WEBOND.o WENMOD.o WLBOND.o STATPT.o HEIGHT.o CPUSEC.o RADAU.o SYMPLE.o lnb.o thermo.o thermbath.o gasdev.o CRCO6.o POTENZ.o hessint.o verlet.o JMAXCALC.o PROBJ.o DENQ.o QMMICRO.o MICROCI.o VOLPSCONE.o QMCALC.o NWCHEM_LINK.o -Wl,--end-group NWCHEM_LINK.o: In function venus_parallel_final_':
/NWCHEM_LINK.f:14: undefined reference to net_final_' NWCHEM_LINK.o: In function broadcast_data_':
/NWCHEM_LINK.f:23: undefined reference to net_broadcast_' NWCHEM_LINK.o: In function venus_qm_energy_':
/NWCHEM_LINK.f:64: undefined reference to evaluateobjective_' NWCHEM_LINK.o: In function venus_qm_gradient_':
/NWCHEM_LINK.f:80: undefined reference to evaluategradient_' NWCHEM_LINK.o: In function venus_qm_gradient_energy_':
/NWCHEM_LINK.f:97: undefined reference to evaluateobjectiveandgradient_' NWCHEM_LINK.o: In function venus_qm_hessian_':
/NWCHEM_LINK.f:123: undefined reference to evaluatehessian_' NWCHEM_LINK.o: In function venus_qm_init_':
/NWCHEM_LINK.f:46: undefined reference to initialize_qm_' NWCHEM_LINK.o: In function venus_parallel_init_':
/NWCHEM_LINK.f:5: undefined reference to net_init_' make: *** [ven_nw.e] Error 1
Any help is appreciated!
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