[Wien] dstart problem with supercell

[Chandrika]

After changing my compiler to ifort10 dstart took only 6 min, as yours did. 
A tremendous improvement over 5 hours! Thanks very much for the help.
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 3:07 PM
Subject: Re: [Wien] dstart problem with supercell


> 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
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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/
>>> --------------------------------------------------------------------------
>>> _______________________________________________
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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/
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