[Wien] "remotemachine: Undefined variable." coming from lapw1para_lapw and lapw2para_lapw

[Laurence Marks]

My email got trapped by Wien2k listserver's size limit, so I am resending.

This is not a compilation issue, it is whether:
a) You have the correct lapw1para_lapw & lapw2para_lapw
b) You have correctly setup remote execution for your system

There was a bug with an incorrect version in SRC which has been
corrected; the ones on the web work fine.

If these do not work for you, please check that the "remote" variable
is set correctly, the "configure Parallel execution" part of
siteconfig.

If you still are not getting anywhere, please add some debug lines to
whichever of lapw1para_lapw or lapw2para_lapw is giving problems so
you can trace where the issue is.

N.B., to be completely clear lapw1para_lapw and lapw2para_lapw are
copied from SRC during the installation, so if you replace SRC you
have of course to do this yourself or use the Wien2k install scripts
to do it for you.

On 9/22/07, Steven Hahn <shahn at iastate.edu> wrote:
> I tried twice to compile in an empty directory and replacing
> SRC.tar.gz with the file from the web, but each time ran into the
> same problem I describe below. The latest WIEN2k_07.tar.gz and
> SRC.tar.gz from the website are dated August 17, 2007. Is this still
> the erroneous version? Would someone be willing to doublecheck that
> the latest source on the website runs correctly on their system?
>
> Steve
>
> On Sep 21, 2007, at 7:23 PM, Laurence Marks wrote:
>
> > I said SRC, i.e. SRC.tar.gz -- this is where lapw1para is originally.
> >
> > On 9/21/07, Steven Hahn <shahn at iastate.edu> wrote:
> >> Thank you for your prompt reply and suggestion. I just downloaded
> >> SRC_lapw1.tar.gz from the website and diff shows it to be identical
> >> to the same file in WIEN2k_07.tar. I tried recompiling anyway, but
> >> received the same error message.
> >> On Sep 21, 2007, at 5:02 PM, Laurence Marks wrote:
> >>
> >>> Check lapw1para in SRC of what is currently on the web, i.e.
> >>> download
> >>> just that directory -- there was an erroneous version which I
> >>> believe
> >>> was corrected about a week ago
> >>>
> >>> On 9/21/07, Steven Hahn <shahn at iastate.edu> wrote:
> >>>> Dear all,
> >>>>
> >>>> I am trying to setup the fine-grain parallel (mpi) version of
> >>>> WIEN2k
> >>>> 7.3 on our cluster. I successfully compiled the code, but
> >>>> received an
> >>>> error "remotemachine: Undefined variable." when executing "x
> >>>> lapw1 -p
> >>>> -c" on the test_case benchmark. Investigating this problem I found
> >>>> that adding  "set remotemachine = $machine[$p]" before line 497 of
> >>>> lapw1para_lapw allows the benchmark to complete. Testing the full
> >>>> iteration with run_lapw on a different case, I had to add the same
> >>>> line before line 315 of lapw2para_lapw for WIEN2k to finish without
> >>>> errors.
> >>>>
> >>>> I've tried recompiling everything a second time from the tar file,
> >>>> but the problem persists. I did notice that line 496 of
> >>>> lapw1para_lapw and line 314 of lapw2para_lapw (set remotemachine =
> >>>> `head -1 .machine[$p]`) is missing after the compilation. Adding
> >>>> this
> >>>> line by hand gives me a new error message (set: Variable name must
> >>>> begin with a letter). This problem is quickly spiraling beyond my
> >>>> familiarity with the program. Have others had problems with the mpi
> >>>> parallel code? Is this a bug in the code, and if not what
> >>>> setting do
> >>>> I need to change? Is the workaround described above correct, or are
> >>>> there other files I need to change for proper operation?
> >>>>
> >>>> Steven
> >>>>
> >>>>
> >>>>
> >>>> _______________________________________________
> >>>> Wien mailing list
> >>>> Wien at zeus.theochem.tuwien.ac.at
> >>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>>>
> >>>
> >>>
> >>> --
> >>> Laurence Marks
> >>> Department of Materials Science and Engineering
> >>> MSE Rm 2036 Cook Hall
> >>> 2220 N Campus Drive
> >>> Northwestern University
> >>> Evanston, IL 60208, USA
> >>> Tel: (847) 491-3996 Fax: (847) 491-7820
> >>> email: L-marks at northwestern dot edu
> >>> Web: www.numis.northwestern.edu
> >>> Commission on Electron Diffraction of IUCR
> >>> www.numis.northwestern.edu/IUCR_CED
> >>> _______________________________________________
> >>> Wien mailing list
> >>> Wien at zeus.theochem.tuwien.ac.at
> >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>>
> >>
> >> _______________________________________________
> >> Wien mailing list
> >> Wien at zeus.theochem.tuwien.ac.at
> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >
> >
> > --
> > Laurence Marks
> > Department of Materials Science and Engineering
> > MSE Rm 2036 Cook Hall
> > 2220 N Campus Drive
> > Northwestern University
> > Evanston, IL 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > Web: www.numis.northwestern.edu
> > Commission on Electron Diffraction of IUCR
> > www.numis.northwestern.edu/IUCR_CED
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
> _______________________________________________
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>


-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED