[Pw_forum] compile error on Xeon with intel fortran

[Huiqun Zhou]

I used PWscf, Siesta and Wien2k quite often and checked the examples
and my own which gave comparable results to the experiments although
I didn't try other DFT code heavily. I only found that linking to fftw 3.x
when using 9.0 compiler could crash ph.x (and may be others, but not pw.x).

Maybe, compiler options used and OS version (?) make difference ("o")


Huiqun

 
----- Original Message ----- 
From: "Axel Kohlmeyer" <akohlmey at cmm.chem.upenn.edu>
To: "PWSCF Forum" <pw_forum at pwscf.org>
Cc: "lan haiping" <lanhaiping at gmail.com>
Sent: Monday, April 07, 2008 1:32 PM
Subject: Re: [Pw_forum] compile error on Xeon with intel fortran


> On Sun, Apr 6, 2008 at 10:14 PM, Huiqun Zhou <hqzhou at nju.edu.cn> wrote:
>> Axel,
>>
>>  9.0 (build 20050809) seems an exception. I have been using
>>  this version of Intel compiler since its release and successfully
>>  compiled all prevailing DFT code.
> 
> nope that one's broken as well. it miscompiles several codes.
> you have to have a newer patchlevel to have a working 9.0
> compiler. i had moderate success with the 20051020 build,
> but the correspondingly late patchlevels of 8.1 and 9.1 have
> been much more reliable.
> 
> the issue with miscompiled code is that the code not always
> crashes on you, but sometimes just gives the wrong result...
> 
> cheers,
>    axel.
> 
>>
>>  Huiqun Zhou
>>  @Nanjing University, China
>>
>>
>>
>>  ----- Original Message -----
>>  From: "Axel Kohlmeyer" <akohlmey at cmm.chem.upenn.edu>
>>  To: "lan haiping" <lanhaiping at gmail.com>
>>  Cc: "PWSCF Forum" <pw_forum at pwscf.org>
>>  Sent: Saturday, April 05, 2008 9:19 PM
>>  Subject: Re: [Pw_forum] compile error on Xeon with intel fortran
>>
>>
>>  > On Sat, 5 Apr 2008, lan haiping wrote:
>>  >
>>  > IH> Dear Min,
>>  > IH>   Some one else told me before that ifort v10 is not a stable
>>  > compiler..
>>  >
>>  > this is not correct. newer patchlevels of 10.1 are quite
>>  > reliable. 10.1.012 should be ok. the original 10.0 release
>>  > was bad, like almost all intel x.0 releases.
>>  >
>>  > cheers,
>>  >  axel.
>>  >
>>
>>
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>>
> 
> 
> 
> -- 
> =======================================================================
> Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
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