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Re: [abinit-forum] Compile ABINIT successfully of PC-Linux parallel version


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  • From: Xin Liu <dut_liuxin@yahoo.com.cn>
  • To: forum@abinit.org
  • Cc: mmikami@yk.rim.or.jp
  • Subject: Re: [abinit-forum] Compile ABINIT successfully of PC-Linux parallel version
  • Date: Sun, 29 Dec 2002 22:49:22 +0800 (CST)

I also successfully compiled the abinip on a beowulf
cluster of P4 2.4G with Redhat linux 8.0(kernel 2.4.18
with bigmemory support enabled, and shipped from
Redhat), together with PGI fortran compiler
(V4.0),gcc(v3.2)and LAM-MPI (6.5.8).

I first installed trial version of PGI fortran with
its default setting. and then compiled the LAM-MPI
with PGI and GCC. After that I made some changes to
makefile_macros.PGI_Lam, to specifie some enviromental
variables on my system( for parallel version ,compile
with hf77 is needed).

After that, just make abinip. It goes without any
errors, and the tests results are comparable with
those in the Refs, and even the sequential version is
much faster than the binary downloaded from website.
Everything goes ok!

I hope the above description would be useful to all of
u!

Sincerely yours

Xin, Liu




--- Masayoshi Mikami <mmikami@yk.rim.or.jp> 的正文:>
Dear Zhang Mike,
>
> Thank you very much ("XieXie") for your detailed
> report !
> It will be very helpful for followers with
> Linux-clusters.
>
> As suggested by Xin,
> could you please elaborate upon your PC-Linux
> environment ?
> (I noticed that the format of "bug report" would be
> updated.)
>
> 3) Operating system (including version number)
> "uname -a" will work on most platforms.
> "oslevel" will be preferable on IBM workstations
> (AIX).
>
> 4) Fortran Compiler (including version number)
> For the compiler version number, type man
> "compiler command" etc.
> e.g.
> pgf90 (PGI compiler on Linux) : pgf90 -V
> xlf (on IBM platform) : lslpp -l
>
> 4') C Compiler (including version number), for
> CPP information
> e.g.
> /lib/cpp : "ls -l /lib/cpp" and/or messages
> from
> "gcc -v *"
>
> My (old) Linux box (Linux 2.2.13, Fujitsu Fortran&C
> ver.3.0,
> cpp : egcs-2.91.66 (egcs-1.1.2 release), and other
> version
> available in Fujitsu Fortran&C) did not produce any
> errors like your cases:
>
> > /lib/cpp -C -DP6 -P tddft.f > tddft_cpp.f
> > hf77 -Mextend -Mfree -O2 -c tddft_cpp.f
> > PGF90-S-0034-Syntax error at or near ,
> (tddft_cpp.f: 55)
> > The 55th line of tddft.f is
> > !! systems: Theory, Computational Methods, and
> Functionals", by M.E.
> > Casida,
> > After compiling by cpp, it changed into (in
> tddft_cpp.f)
> > !! systems: Theory, Computational Methods, and
> Functionals"
> >
> , by M.E.
> > Casida,
> >
> > I don't know why there exists the carriage return
> character in the line
> > after cpp's compilation. The phrase ", by M.E.
> Casida," inevitably incurred
> > a compilation error.
>
> So I am wondering which version of cpp would produce
> such errors ...
> It might be a good idea to try other version of cpp
> (if available).
> (Kindly see also,
> http://www.abinit.org/ABINIT/FAQ.html#cpp )
>
> Thank you also for the information about initsph.f
> and mkffnl.f.
> (NB: The version 3.4.3 should be OK with this
> viewpoint.)
>
> Good continuation, wishing a happy new year,
> Masayoshi Mikami

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