Re: [AMBER-Developers] Second release candidate for AmberTools 1.3; numvec

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Fri, 25 Sep 2009 14:25:27 -0400

Hi,

The numvec issue appears to be a library problem with libstdc++
which both gnu and intel use. pgi uses stlport.
The best way to fix this is to rewrite our code to avoid the
_Expr constructor use caused by libstdc++.
It's not clear to me that this is easy.
I havent read the code and probably won't until oct 1.

scott

On Fri, Sep 25, 2009 at 02:04:12PM -0400, Volodymyr Babin wrote:
> Hi Scott,
>
> I see -- I did not check the logs/etc assuming that nobody
> tried pgi; the netcdf issue is simple: their preprocessor
> puts spaces around '=' and this fools the netcdf's config.guess;
> C++ issue should be fixable too [I did not try myself -- nobody
> is going to use pgCC for leap anyway]; the _Complex and
> command_argument_count() seem to be due to the old version
> of the compilers we have here.
>
> Best,
>
> Volodymyr
>
> On Fri, September 25, 2009 13:51, Scott Brozell wrote:
> > Hi,
> >
> > Version 6 is from Mar 2005.
> > Some of your problems are due to an old version.
> > Read the configure cvs log for problems on a recent version, 9;
> > these are your netcdf and numvec problems.
> > If i don't fix these shortly then I'll file a bug report.
> >
> > thanks,
> > Scott
> >
> > On Fri, Sep 25, 2009 at 11:25:14AM -0400, case wrote:
> >> On Thu, Sep 24, 2009, Volodymyr Babin wrote:
> >>
> >> >
> >> > We have some old (6.0) version around and it goes as follows:
> >> >
> >> > 1. netcdf/src/config.guess could not guess the LIBC for CC=pgcc
> >>
> >> We'll try the suggested change for a while, then commit if it doesn't
> >> break
> >> anything else.
> >>
> >> >
> >> > 2. cpp -traditional -P -DNO_SANDER_DIVCON -DBINTRAJ sqm.f > _sqm.f
> >> > pgf90 -c -O1 -Mfree -o sqm.o _sqm.f
> >> > PGF90-S-0038-Symbol, command_argument_count, has not been explicitly
> >> > declared (_sqm.f)
> >> > 0 inform, 0 warnings, 1 severes, 0 fatal for sqm
> >> >
> >> > tried 'iargc()' -- same result [cutting edge fortran?]
> >>
> >> The docs for Portland group may provide their solution for getting
> >> iargc(?)
> >>
> >> >
> >> > C++ style comment in line 79
> >>
> >> I fixed the various reported C++ comments, and put into CVS.
> >>
> >> > pgCC -c -I../../freelib -I../../freelib -o numvec.o numvec.cpp
> >> > "numvec.hpp", line 27: warning: omission of explicit type is
> >> nonstandard
> >> > ("int" assumed)
> >> > template< typename T > numvec( const std::_Expr<T,double>&
> >> rhs )
> >> > : std::valarray<double>( rhs ) {}
> >>
> >> Scott is working on this one, which seems to affect more than just
> >> Portland
> >> group(?)
> >>
> >> > pgcc -c -Dflex -O2 -DBINTRAJ -o nmode.o nmode.c
> >> > PGC-S-0040-Illegal use of symbol, _Complex
> >>
> >> Does it help to include -DUSE_AMBER_C9XCOMPLEX in your OCFLAGS variable?
> >> If so, we could add that to the configure script.
> >>

_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Sep 25 2009 - 11:30:02 PDT
Custom Search