On Tue, Mar 9, 2010 at 2:02 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Pathscale perhaps still have a pulse but it is a very weak one. I know no
> machines that have pathscale compilers available and I can't see how they
kraken has them available (module load pathscale/3.2). PGI is
default, though, and after looking at how much of a pain it would be
to support pathscale for amber, I quickly decided to remain using PGI.
:).
> can survive long term. If I recall right NVIDIA bought Pathscale, or a chunk
> of them and it became the basis for their NVCC cuda compiler. Although I may
> be confused on that so don't quote me.
>
> Gfortran is closing the performance gap fast though and if you hook it with
> MKL the difference for GB is minimal while PME stands around 10% or so last
> time I checked. Thus the value add in the pathscale compilers is really
> minimal considering the cost.
>
> Just my 3c.
>
> All the best
> Ross
>
>> -----Original Message-----
>> From: amber-developers-bounces.ambermd.org [mailto:amber-developers-
>> bounces.ambermd.org] On Behalf Of Robert Duke
>> Sent: Tuesday, March 09, 2010 10:55 AM
>> To: AMBER Developers Mailing List
>> Subject: Re: [AMBER-Developers] PMEMD missing type?
>>
>> So, just out of curiosity, does anyone know what is happening with
>> PathScale? I thought they had maybe died, but I can still find a
>> webpage.
>> Two or three years ago, they were pretty close on performance, with a
>> significant difference (positive) in usability. I had always figured
>> intel
>> would have an edge because they make the chips and have pretty deep
>> pockets,
>> but their usability factor has been just awful for some time now. When
>> I
>> first advocated using them (I think it was at least partially my fault,
>> though these days there are not a lot of other options anyway), things
>> were
>> not nearly this bad, except perhaps for Itanium...
>> Best Regards - Bob
>> ----- Original Message -----
>> From: "Ross Walker" <ross.rosswalker.co.uk>
>> To: "'AMBER Developers Mailing List'" <amber-developers.ambermd.org>
>> Sent: Tuesday, March 09, 2010 1:47 PM
>> Subject: RE: [AMBER-Developers] PMEMD missing type?
>>
>>
>> > 10.1.018 also works.
>> >
>> >> -----Original Message-----
>> >> From: amber-developers-bounces.ambermd.org [mailto:amber-developers-
>> >> bounces.ambermd.org] On Behalf Of case
>> >> Sent: Tuesday, March 09, 2010 10:03 AM
>> >> To: AMBER Developers Mailing List
>> >> Subject: Re: [AMBER-Developers] PMEMD missing type?
>> >>
>> >> On Tue, Mar 09, 2010, case wrote:
>> >> > >
>> >> > > > cpp -traditional -P -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS
>> >> > > > -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT pme_setup.fpp
>> >> pme_setup.f90
>> >> > > > ifort -fast -c pme_setup.f90
>> >> > > > pme_setup.f90(417): error #6404: This name does not have a
>> type,
>> >> and
>> >> > > > must
>> >> > > > have an explicit type. [NATOM]
>> >> > > > do n = 1, natom
>> >> > > > ------------^
>> >> > > >
>> >> >
>> >> > What Intel compiler are you using?
>> >>
>> >> One quick addtional point, then I have meetings all day:
>> >>
>> >> For me, it appears that ifort 10.1.025 works, but 11.1.069 fails.
>> >>
>> >> ...dac
>> >>
>> >>
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>> >
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>>
>>
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--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Mar 09 2010 - 12:00:03 PST
