[CP2K:1658] Re: Compilation error on CRAY-XT3

[carlo antonio pignedoli]

Dear Axel and Shawn,

cpi at palu2:/scratch/cpi/cp2k/arch> ftn -V
/opt/xt-pe/1.5.47/bin/snos64/ftn: INFO: catamount target is being used

pgf90 7.2-4 64-bit target on x86-64 Linux -tp k8-64e
Copyright 1989-2000, The Portland Group, Inc.  All Rights Reserved.
Copyright 2000-2008, STMicroelectronics, Inc.  All Rights Reserved.

this should be the version, I don't know if the system manager
recently updated it but
I never had problem (this problem) on this machine with the pgi before

Ciao, thanks a lot

Carlo

On Wed, Dec 17, 2008 at 8:29 PM, Axel <akoh... at gmail.com> wrote:
>
>
>
> On Dec 17, 1:18 pm, "Shawn T. Brown" <shawn... at gmail.com> wrote:
>> Which version of PGI are you using... out of curiosity?
>
> shawn,
>
> as far as i can remember, _all_ versions of PGI that manage to compile
> cp2k have this flaw. which is really hard to believe. the problems
> with
> PGI don't end there. there are several files that even without
> optimization
> take 15-30 minutes to compile (hours with optimization), even though
> there
> is essentially nothing in them that would require any optimization.
> it is a quite frustrating situation. it is a mystery to me, that cray
> is
> still pushing PGI so hard...
>
> carlo,
>
> i have a hack that allows to build cp2k on an xt3 using g95 that
> seems to be working well (and at very little performance impact).
>
>
> none of the cray machines that i have currently access to has a
> pathscale compilers installed, but i know from other software projects
> that they are not much better than PGI in terms of conformance
> to fortran 95. :-(
>
> cheers,
>    axel.
>
>> Thanks,
>> Shawn
>>
>> On Wed, Dec 17, 2008 at 11:42 AM, Teodoro Laino <teodor... at gmail.com>wrote:
>>
>>
>>
>> > I have a suggestion!!!
>> > Boycott PGI (using PATHSCALE or whatever other compiler your CRAY is
>> > supporting) and don't forget to:
>> > 1) Complain with CRAY..
>> > 2) specifically with your sysadmins..
>>
>> > it should be enough changing the name of that variable to have it
>> > compiled.. I just provided a patch in the CVS.
>> > Can you please check if it works? ( I can't check .. I don't have a
>> > CRAY!!! :-) )
>>
>> > Teo
>>
>> > carlo antonio pignedoli wrote:
>> > > Dear all I'm trying to recompile cp2k on CRAY-XT3
>> > > and I get the following error:
>>
>> > > PGF90-S-0084-Illegal use of symbol gamma  (particle_types.f90: 617)
>> > > PGF90-S-0084-Illegal use of symbol gamma  (particle_types.f90: 618)
>>
>> > > Do you have any suggestion?
>>
>> > > Thanks a lot
>> > > Carlo
>>
>> > > CALL get_cell(cell, alpha=alpha, beta=beta, gamma=gamma, abc=abc)
> >
>