[Wien] Goto Library

[Michael Gurnett]

Got it working. So used to not having to reset linux for effects to be
carried out. Once I rebooted everything orked fine. Interesting point here
is using the following compile options (these might be incorrect)

Current settings:
     O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML
     L   Linker Flags:            -L/opt -L/opt/intel/cmkl/8.0/lib/em64t
-Vaxlib -static-libcxa -pthread
     P   Preprocessor flags       '-DParallel'
     R   R_LIB (LAPACK+BLAS):     -lgoto_prescott64p-r1.00 -lmkl_lapack64
-lmkl_em64t -lguide

I get the same time as that of the test using the cmkl 8.0 libraries (no goto)

Maybe the latest mkl lib is just as good as goto

Michael

-----Original Message-----
From: "Michael Gurnett" <michael.gurnett at kau.se>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Tue, 08 Nov 2005 21:07:57 +0100
Subject: Re: [Wien] Goto Library

> Sorry, when I said path I meant the library path. If I type
> 
> echo $LD_LIBRARY_PATH
> I get
> /opt/intel/fce/9.0/lib:/opt
> which would seem to indicate that it is correct, yet Wien stops saying
> it
> cant be located.
> 
> 
> -----Original Message-----
> From: Jeff Spirko <spirko at Lehigh.EDU>
> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> Date: Tue, 8 Nov 2005 14:25:42 -0500
> Subject: Re: [Wien] Goto Library
> 
> > Learn about the environment variable LD_LIBRARY_PATH.
> > Read the man page for ld.so or do a google search for the variable
> > name.
> > 
> > Basically, LD_LIBRARY_PATH must be set if you link to a shared
> > library (like the goto library) that is not in one of the "standard"
> > locations.
> > 
> > Regards,
> > -Jeff Spirko
> > 
> > On Tue, Nov 08, 2005 at 08:09:50PM +0100, Michael Gurnett wrote:
> > > I have succesfully compiled using the goto library using the
> > following options
> > > 
> > > Current settings:
> > >      O   Compiler options:        -FR -mp1 -w -prec_div -pc80 -pad
> > -ip
> > > -DINTEL_VML
> > >      L   Linker Flags:            -L/opt
> > -L/opt/intel/cmkl/8.0/lib/em64t
> > > -Vaxlib -static-libcxa -pthread
> > >      P   Preprocessor flags       '-DParallel'
> > >      R   R_LIB (LAPACK+BLAS):     -lgoto_prescott64p-r1.00
> > -lmkl_lapack64
> > > -lmkl_em64t -lguide
> > > 
> > > 
> > > However, when I try to run the test_case I get
> > > 
> > > /usr/local/Wien2k/lapw1c: error while loading shared libraries:
> > > libgoto_prescott64p-r1.00.so: cannot open shared object file: No
> such
> > file
> > > or directory
> > > 0.000u 0.000s 0:00.00 0.0%   0+0k 0+0io 0pf+0w
> > > 
> > > even though I have the path to goto (/opt) in my .bashrc file
> > > 
> > > What could be wrong
> > > 
> > > Michael
> > > 
> > > 
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> > 
> > -- 
> > Jeff Spirko   spirko at lehigh.edu   spirko at yahoo.com   WD3V   |=>
> > 
> > The study of non-linear physics is like the study of non-elephant
> > biology.
> > 
> > All theoretical chemistry is really physics;
> > and all theoretical chemists know it. -- Richard P. Feynman 
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 
> 
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