Problem Linking GAMESS version September 30, 2018 R3

Problem Linking GAMESS version September 30, 2018 R3

[Stephen P. Molnar]

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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


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[-- Attachment #2: lked.log --]
[-- Type: text/x-log; name="lked.log", Size: 4138 bytes --]

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

Re: Problem Linking GAMESS version September 30, 2018 R3

[Steve Kargl]

On Fri, Mar 01, 2019 at 01:44:22PM -0500, Stephen P. Molnar wrote:
> 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.
> 

I suppose the obvious question is "Does tdxni.o exist?".
Followed by "Is it in the path of build process?"

-- 
Steve

Re: Problem Linking GAMESS version September 30, 2018 R3

[Stephen P. Molnar]

Thanks for the reply.

tdxni.src is present in the source directory. There are a tdxni.f filr 
and a itdxni.o file in the object directory.  However, there is no 
mention if tdnxi in either the compall or comp files.  tdnxi is not 
found in the lked file and the only mention of the file in the lnkd.log 
is in the error message.  It got lost somewhere along the line.

On 03/01/2019 02:01 PM, Steve Kargl wrote:
>   On Fri, Mar 01, 2019 at 01:44:22PM -0500, Stephen P. Molnar wrote:
>> 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.
>>
> I suppose the obvious question is "Does tdxni.o exist?".
> Followed by "Is it in the path of build process?"
>

-- 
Stephen P. Molnar, Ph.D.
Consultant
www.molecular-modeling.net
(614)312-7528 (c)
Skype: smolnar1

Re: Problem Linking GAMESS version September 30, 2018 R3

[Steve Kargl]

Well, I guess the next question is "Is itdxni.o is misnamed, 
ie. the leading 'i' is wrong?"  Followed by "how is the file
tdxni.f compiled?"

We're verging on off-topic for this list.

-- 
steve

On Fri, Mar 01, 2019 at 02:36:46PM -0500, Stephen P. Molnar wrote:
> Thanks for the reply.
> 
> tdxni.src is present in the source directory. There are a tdxni.f filr 
> and a itdxni.o file in the object directory.  However, there is no 
> mention if tdnxi in either the compall or comp files.  tdnxi is not 
> found in the lked file and the only mention of the file in the lnkd.log 
> is in the error message.  It got lost somewhere along the line.
> 
> On 03/01/2019 02:01 PM, Steve Kargl wrote:
> >   On Fri, Mar 01, 2019 at 01:44:22PM -0500, Stephen P. Molnar wrote:
> >> 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.
> >>
> > I suppose the obvious question is "Does tdxni.o exist?".
> > Followed by "Is it in the path of build process?"
> >
> 
> -- 
> Stephen P. Molnar, Ph.D.
> Consultant
> www.molecular-modeling.net
> (614)312-7528 (c)
> Skype: smolnar1

-- 
Steve
20170425 https://www.youtube.com/watch?v=VWUpyCsUKR4
20161221 https://www.youtube.com/watch?v=IbCHE-hONow

RE: Problem Linking GAMESS version September 30, 2018 R3

[s.molnar]

The question has become moot.  Earlier this afternoon my system had a
catastrophic crash and I lost everything current. I am reinstalling the OS
as I write.

Stephen P. Molnar, Ph.D.
www.molecular-modling.net
(614)312-7528 (c)
Skype:  smolnar1

-----Original Message-----
From: Steve Kargl <sgk@troutmask.apl.washington.edu> 
Sent: Friday, March 1, 2019 2:58 PM
To: Stephen P. Molnar <s.molnar@sbcglobal.net>
Cc: Stephen P. Molnar <smolnar@molecular-modeling.net>; fortran@gcc.gnu.org
Subject: Re: Problem Linking GAMESS version September 30, 2018 R3

Well, I guess the next question is "Is itdxni.o is misnamed, ie. the leading
'i' is wrong?"  Followed by "how is the file tdxni.f compiled?"

We're verging on off-topic for this list.

--
steve

On Fri, Mar 01, 2019 at 02:36:46PM -0500, Stephen P. Molnar wrote:
> Thanks for the reply.
> 
> tdxni.src is present in the source directory. There are a tdxni.f filr 
> and a itdxni.o file in the object directory.  However, there is no 
> mention if tdnxi in either the compall or comp files.  tdnxi is not 
> found in the lked file and the only mention of the file in the 
> lnkd.log is in the error message.  It got lost somewhere along the line.
> 
> On 03/01/2019 02:01 PM, Steve Kargl wrote:
> >   On Fri, Mar 01, 2019 at 01:44:22PM -0500, Stephen P. Molnar wrote:
> >> 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.
> >>
> > I suppose the obvious question is "Does tdxni.o exist?".
> > Followed by "Is it in the path of build process?"
> >
> 
> --
> Stephen P. Molnar, Ph.D.
> Consultant
> www.molecular-modeling.net
> (614)312-7528 (c)
> Skype: smolnar1

--
Steve
20170425 https://www.youtube.com/watch?v=VWUpyCsUKR4
20161221 https://www.youtube.com/watch?v=IbCHE-hONow