mailman/listinfo/pw_forum
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
> ___
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/4cc315f5/attachment.html
k you much,
Yantao Wu,
Undergraduate Student,
Harvey Mudd College 15'
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/27a92071/attachment.html
On Jun 26 16:03 +0200, Steve Schmerler wrote:
> Hello
>
> I have a MD run which I want to repeat from some point, using the same
> velocities from that time step. pw.x doesn't have an input card
> ATOMIC_VELOCITIES like cp.x, so I need to perform a restart.
This is not documented on the web site
Dear Sakhraoui Taoufik
We do not understand too, with such a minimal information...
Yours
Giuseppe
On Wednesday 26 June 2013 15:41:34 Sakhrawi Taoufek wrote:
> Dear all,
>
> I do self consistent calculation for fr relaxed structur, after few minutes
> the it stops without printing any error
Hello
I have a MD run which I want to repeat from some point, using the same
velocities from that time step. pw.x doesn't have an input card
ATOMIC_VELOCITIES like cp.x, so I need to perform a restart.
However, I don't have the prefix.md (and prefix.update) file. Therefore,
I need to create it
Dear Sakhraoui,
It happens the same to me when I am run out of space on the disk.
Best,
Hadi.
-Original Message-
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-boun...@pwscf.org] On
Behalf Of Giuseppe Mattioli
Sent: 26 June 2013 15:29
To: Sakhrawi Taoufek; PWSCF Forum
Subject:
t yahoo.com
==
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/ebb679b0/attachment.html
--
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/8943829e/attachment.html
are 6s26p0.55d9.55f0.
Which one is correct?
could anyone help me with this?
I attached the converted file to this email.
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/be211ac1/attachment.html
-- next part
75252 Paris C?dex 5
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/f0815037/attachment.html
Dear Simone
If I understand well, you want to create a restart point and you want to store
it for possible further restarting/post processing of data. It can be
surely done, but not with "internal" pw keywords. You may use a script like
this:
#!/bin/sh
...(environment variables, depending on
?
> >
> > Thanks for your help
> >
> > Sincerely,
> > Simone Marocchi,
> > PhD student,
> > University of Modena and Reggio-Emilia
> >
> >
> > ___
> > Pw_forum mailing list
> > Pw_forum at pw
On 06/26/2013 09:20 AM, eitan eidelstein wrote:
> hello,
> is there any problem in increasing npk to 40?
> (except of memory and run time needed).
>
No problem, there are actually very few arrays statically dimensioned to
npk, the memory impact should be minimal. In case it was part of your
hello,
is there any problem in increasing npk to 40?
(except of memory and run time needed).
thanks, eitan.
-- next part --
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20130626/55505a25/attachment.html
14 matches
Mail list logo