The ABINIT Users Mailing List ( CLOSED )

["Artem R. Oganov" <a.oganov@mat.ethz.ch>]

Dear Sergey,

You can always run a single calculation in the multidataset mode (then
it will be done several times - which is rather silly, but at least it
works, and in any case you will be able to stop the code after it
calculated once what you need). The reason is basically a compiler bug
on HP, as far as I know.

With my best regards,

Artem

++++++ESF/CECAM/Psi-k Workshop: http://www.wrc.man.ac.uk/cecam/

************************
Dr. Artem R. Oganov
Lab. of Crystallography, Department of Materials
ETH Zurich, CH-8092 Zurich, Switzerland
Tel.: +41-1-632-3752; Fax: +41-1-632-1133
E-mail: a.oganov@mat.ethz.ch
Personal web-page: http://olivine.ethz.ch/~artem
Group page:  http://www.crystal.mat.ethz.ch/research/ExtremeConditions
************************ 


-----Original Message-----
From: proffess@yandex.ru [mailto:proffess@yandex.ru] 
Sent: 27 May 2004 10:16
To: a.oganov@mat.ethz.ch
Cc: forum@abinit.org
Subject: RE: [abinit-forum] ABINIT on HP : Is it really possible?

Dear Artem,

Thank you for your message. I do not really try to run ABINIT in
multidataset mode. I will try.

But If I want to run in single dataset mode - HP is not of my choice? Am
I right?

But the question: Why only multidataset are possible? Where is a
problem?


Best wishes,
 Sergey