[Wien] dstart problem with supercell

[Peter Blaha]

Maybe. ifort 8.1 is very buggy as was discussed several times before.

Chandrika schrieb:
> Dear Prof Blaha,
> Thank you.
> I am using ifort 8.1 and intel clustermkl 7.2 (P IV single core).
> Compiler message in SRC_w2web says " Make : No rule to make target. Clean 
> stop.
> No target stop.
> SRC_dstart has no compiler message
> Is the problem due to the older ifort version?
> Thank you for for your time.
> Chandrika
> 
> ----- Original Message ----- 
> From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> Sent: Thursday, September 27, 2007 12:38 PM
> Subject: Re: [Wien] dstart problem with supercell
> 
> 
>> I used your struct file, ran a default initialization (RKMAX=5) and
>> dstart -c runs in 6 minutes
>> on a Intel core2 machine (ifort10). Check your dstart compilation.
>>
>> rcais at cal3.vsnl.net.in schrieb:
>>> Dear developers and users,
>>> I am having a problem with phonon lapw in the new version of Wien (Wien2k
>>> 07.3).
>> I ran init_lapw on a supercell case generated from a d.45 file (from
>> Phonon). For this structure
>> file dstart  took 3.5 hours to complete in the Wien2k 05 version. But with
>> the new version dstart
>> did not complete even in 5.5 hours. my compilation was ok and scf runs
>> fine in other systems.
>> Other cases also did not complete dstart in 7 hours.
>>> I am attaching the structure file.
>>> Thank you for your help.
>>> Chandrika
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> -- 
>>
>>                                       P.Blaha
>> --------------------------------------------------------------------------
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
>> Email: blaha at theochem.tuwien.ac.at    WWW:
>> http://info.tuwien.ac.at/theochem/
>> --------------------------------------------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
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> 
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-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------