[Wien] dstart problem with supercell

Chandrika rcais at cal3.vsnl.net.in
Thu Sep 27 11:17:57 CEST 2007


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