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Problem Linking GAMESS version September 30, 2018 R3
- From: "Stephen P. Molnar" <smolnar at molecular-modeling dot net>
- To: fortran at gcc dot gnu dot org
- Date: Fri, 1 Mar 2019 13:44:22 -0500
- Subject: Problem Linking GAMESS version September 30, 2018 R3
I am rerunning up-to-date 64bit Debian Stretch. I have been compiling
and using GAMESS in various versions for a number of years now, but this
is the first time that I have attempted compiling for mpich.
Actually, the compile went very smoothly with no warning or errors. The
problem that I ran into occurred in the link process. The error message
was: gfortran: error: tdxni.o: No such file or directory.
The lked.log is attached.
A solution to the problem will be much appreciated.
Thanks in advance.
--
Stephen P. Molnar, Ph.D. Life is a fuzzy set
www.molecular-modeling.net Stochastic and multivariate
(614)312-7528 (c)
Skype: smolnar1
Fri Mar 1 08:31:41 EST 2019
GAMESS will be linked into the binary file gamess.00.x.
Warning. No math library was found, you should install one.
MP2 calculations speed up about 2x with a math library.
CCSD(T) calculations speed up about 5x with a math library.
The name of the linker on this machine is gfortran,
and the linker options are " ".
Object code list begins "gamess.o unport.o",
followed by BLAS object code "blas.o",
followed by LAPACK object code "dgeev.o dgesvd.o zheev.o",
followed by VECTOR object code " ",
followed by memory object code "zunix.o",
followed by the standard GAMESS object code list,
aldeci.o algnci.o basccn.o basecp.o basext.o basg3l.o bashuz.o bashz2.o baskar.o basminix.o basn21.o basn31.o baspcn.o basg3x.o bassto.o casino.o ccaux.o ccddi.o ccqaux.o ccquad.o ccsdt.o ceeis.o cepa.o cnglob.o chgpen.o cimf.o ciminf.o cimi.o cimlib.o cimsub.o cisgrd.o comp.o cosmo.o cosprt.o cphf.o cpmchf.o cprohf.o cpuhf.o dccc.o dcgrd.o dcgues.o dcint2.o dclib.o dcmp2.o dcscf.o dctran.o ddilib.o delocl.o demrpt.o dft.o dftaux.o dftbfo.o dftbgr.o dftbhs.o dftblb.o dftbsk.o dftbtd.o dftbx.o dftdis.o dftfun.o dftgrd.o dftint.o dftxca.o dftxcb.o dftxcc.o dftxcd.o dftxce.o dftxcf.o dftxcg.o diab.o dmulti.o drc.o eaipcc.o ecp.o ecpder.o ecplib.o ecppot.o efpmodule.o efchtr.o efdrvr.o efelec.o efgrd2.o efgrda.o efgrdb.o efgrdc.o efinp.o efinta.o efintb.o efmo.o efmograd.o efmograd_es.o efmograd_exrep.o efmograd_disp.o efmograd_pol.o efpaul.o efpcm.o efpcov.o efpfmo.o eftei.o eigen.o elglib.o elgloc.o elgscf.o eomcc.o ewald.o excorr.o ffield.o fmo.o fmoafo.o fmocp.o fmoesd.o fmogrd.o fmoh1a.o fmoh2a.o fmoh2b.o fmoh2c.o fmohss.o fmoint.o fmoio.o fmolib.o fmomm.o fmopbc.o fmoprp.o
frfmt.o fsodci.o g3.o globop.o gmcpt.o gradex.o guess.o grd1.o grd2a.o grd2b.o grd2c.o gugdga.o gugdgb.o gugdm.o gugdm2.o gugdrt.o gugem.o gugsrt.o gvb.o hess.o hss1a.o hss1b.o hss1c.o hss2a.o hss2b.o hss2c.o inputa.o inputb.o inputc.o int1.o int2a.o int2b.o int2c.o int2d.o int2f.o int2g.o int2r.o int2s.o iolib.o ivocas.o lagran.o local.o locatd.o loccd.o locpol.o locsvd.o lrd.o lut.o mcpgrd.o mcpinp.o mcpint.o mcpl10.o mcpl20.o mcpl30.o mcpl40.o mcpl50.o mcpl60.o mcpl70.o mcpl80.o mccas.o mcjac.o mcqdpt.o mcqdwt.o mcqud.o mcscf.o mctwo.o mdefp.o mexing.o mltfmo.o mm23.o modmnfun.o morokm.o mnsol.o mp2.o mp2ddi.o mp2grd.o mp2gr2.o mp2ims.o mpcdat.o mpcdatpm6.o mpcgrd.o mpchbond.o mpcint.o mpcmol.o mpcmsc.o mpcpcm.o mthlib.o nameio.o nmr.o
optcix.o ordint.o ormas1.o ormpt2.o parley.o pcm.o pcmcav.o pcmcv2.o pcmder.o pcmdis.o pcmhss.o pcmief.o pcmpol.o pcmvch.o prec.o prpamm.o prpel.o prplib.o prppop.o qeigen.o qfmm.o qmfm.o qrel.o quanpo.o raman.o reorg.o rhfuhf.o ricab.o riint.o rimp2.o rimp2omp.o rimp2grd.o rmd.o rmddat.o rmdgen.o rmdwrk.o rmdrun.o roeom.o rohfcc.o rxncrd.o ryspol.o scflib.o scfmi.o scrf.o secor.o sfdft.o sfgrad.o sobrt.o soffac.o solib.o sozeff.o statpt.o hrmrst.o surf.o svpchg.o svpinp.o svpleb.o symhi.o symorb.o symslc.o tddft.o tddefp.o tddfun.o tddfxc.o tddgrd.o tddint.o tddnlr.o tddxca.o tddxcc.o tddxcd_m05.o tddxcd_m06.o tddxcd_m08.o tddxcd_pkzb.o tddxcd_revtpss.o tddxcd_tpss.o tddxcd_vs98.o tddxce.o tdhf.o tdx.o tdxio.o tdxitr.o tdxni.o tdxprp.o trans.o trfdm2.o trnstn.o trudge.o umpddi.o utddft.o utdgrd.o vibanl.o vscf.o vvos.o zapddi.o zmatrx.o
stubcc3.o
params.o
Choices for some optional plug-in codes are
Tinker/SIMOMM code skipped, using dummy file qmmm.o
Both VB programs skipped, using dummy file vbdum.o
Nuclear Electron Orbital code skipped, using dummy file neostb.o
Natural Bond Orbital (NBO) code skipped, using dummy file nbostb.o
MPQC code skipped, using dummy file mpqcst.o
The message passing libraries searched are
/home/comp/Downloads/GAMESS/gamess/ddi/libddi.a -L/usr/lib/mpich/lib -lmpi -lmpl -lmpich -lmpifort -lrt -lpthread
Other libraries, including math libraries, to be searched are
Linker messages (if any) follow...
gfortran: error: tdxni.o: No such file or directory
Unfortunately, there was an error while linking GAMESS.
0.0u 0.0s 0:00.01 100.0% 0+0k 0+8io 0pf+0w