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

From: Volodymyr Babin <vbabin.ncsu.edu>
Date: Fri, 25 Sep 2009 14:04:12 -0400 (EDT)

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.
>>
>>
>> Thanks for the reports!....dac
>>
>>
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Received on Fri Sep 25 2009 - 11:30:02 PDT
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