Thanks a lot Ben,<br>Compiling are OK and running on multicore one node CPU now.<br>Best<br>VNT<br><br><div class="gmail_quote">On Fri, Apr 9, 2010 at 6:00 AM, <span dir="ltr"><<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Send DFTB-Plus-User mailing list submissions to<br>
<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><br>
<br>
To subscribe or unsubscribe via the World Wide Web, visit<br>
<a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
or, via email, send a message with subject or body 'help' to<br>
<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a><br>
<br>
You can reach the person managing the list at<br>
<a href="mailto:dftb-plus-user-owner@dftb-plus.info">dftb-plus-user-owner@dftb-plus.info</a><br>
<br>
When replying, please edit your Subject line so it is more specific<br>
than "Re: Contents of DFTB-Plus-User digest..."<br>
<br>
<br>
Today's Topics:<br>
<br>
1. Parallel version for Multicore CPU (Tuoc Vu Ngoc)<br>
2. Re: Parallel version for Multicore CPU (Benjamin Hourahine)<br>
<br>
<br>
----------------------------------------------------------------------<br>
<br>
Message: 1<br>
Date: Fri, 9 Apr 2010 02:42:09 +0700<br>
From: Tuoc Vu Ngoc <<a href="mailto:tuocvungoc@mail.hut.edu.vn">tuocvungoc@mail.hut.edu.vn</a>><br>
Subject: ***SPAM*** [DFTB-Plus-User] Parallel version for Multicore CPU<br>
To: <a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><br>
Message-ID:<br>
<<a href="mailto:y2x135c4d921004081242z2626e2ake3b8aea97d4d8153@mail.gmail.com">y2x135c4d921004081242z2626e2ake3b8aea97d4d8153@mail.gmail.com</a>><br>
Content-Type: text/plain; charset="iso-8859-1"<br>
<br>
Hi Balint,<br>
I wonder there is option or how to make a dftb for 4 core Intel Xeon<br>
Quadcore.<br>
Many thanks & regards,<br>
VNT<br>
<br>
On Thu, Apr 8, 2010 at 5:00 PM, <<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a>>wrote:<br>
<br>
> Send DFTB-Plus-User mailing list submissions to<br>
> <a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><br>
><br>
> To subscribe or unsubscribe via the World Wide Web, visit<br>
> <a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
> or, via email, send a message with subject or body 'help' to<br>
> <a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a><br>
><br>
> You can reach the person managing the list at<br>
> <a href="mailto:dftb-plus-user-owner@dftb-plus.info">dftb-plus-user-owner@dftb-plus.info</a><br>
><br>
> When replying, please edit your Subject line so it is more specific<br>
> than "Re: Contents of DFTB-Plus-User digest..."<br>
><br>
><br>
> Today's Topics:<br>
><br>
> 1. DFTB+ 1.1 release candidate (B?lint Aradi)<br>
><br>
><br>
> ----------------------------------------------------------------------<br>
><br>
> Message: 1<br>
> Date: Thu, 08 Apr 2010 08:53:36 +0200<br>
> From: B?lint Aradi <<a href="mailto:balint.aradi@bccms.uni-bremen.de">balint.aradi@bccms.uni-bremen.de</a>><br>
> Subject: ***SPAM*** [DFTB-Plus-User] DFTB+ 1.1 release candidate<br>
> To: DFTB+ User <<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a>><br>
> Message-ID: <<a href="mailto:4BBD7D70.8010002@bccms.uni-bremen.de">4BBD7D70.8010002@bccms.uni-bremen.de</a>><br>
> Content-Type: text/plain; charset="utf-8"<br>
><br>
> Dear List members,<br>
><br>
> thank you very much for taking part in the activity of the<br>
> DFTB+ community. Your contributions help inexperienced users to make<br>
> their first steps with DFTB+, experienced users to find answers to their<br>
> specific questions, and of course your feedback helps us developers<br>
> to understand which parts of the code and tools need improvement and<br>
> which features are needed by the community.<br>
><br>
> As sign of our appreciation, and in order to encourage you to continue<br>
> your active participation in the future, we would like to invite you to<br>
> try the release candidate for the next DFTB+ release (1.1) before its<br>
> official announcment. (The official 1.1 version should be released in<br>
> ca. 5 weeks.)<br>
><br>
> You can download the soucre, precompiled binaries, the autotest and<br>
> the manual from the website as usual. You will also find a list of the<br>
> major changes under<br>
><br>
> <a href="http://www.dftb-plus.info/about_dftb/release_11/" target="_blank">http://www.dftb-plus.info/about_dftb/release_11/</a><br>
><br>
> If you have any comments or suggestions regarding the new version, or<br>
> if you think you having found a bug, please do not hesitate to contact us.<br>
><br>
> We hope, that you'll find our new release useful.<br>
><br>
><br>
> Best regards<br>
><br>
> The DFTB+ developer team<br>
><br>
> --<br>
> Dr. B?lint Aradi<br>
> Bremen Center for Computational Materials Science, University of Bremen<br>
> <a href="http://www.bccms.uni-bremen.de/en/%7Eb_aradi" target="_blank">http://www.bccms.uni-bremen.de/en/~b_aradi</a><<a href="http://www.bccms.uni-bremen.de/en/%7Eb_aradi" target="_blank">http://www.bccms.uni-bremen.de/en/%7Eb_aradi</a>><br>
><br>
><br>
> -------------- next part --------------<br>
> A non-text attachment was scrubbed...<br>
> Name: signature.asc<br>
> Type: application/pgp-signature<br>
> Size: 252 bytes<br>
> Desc: OpenPGP digital signature<br>
> Url :<br>
> <a href="http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100408/16559220/attachment-0001.pgp" target="_blank">http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100408/16559220/attachment-0001.pgp</a><br>
><br>
> ------------------------------<br>
><br>
> _______________________________________________<br>
> DFTB-Plus-User mailing list<br>
> <a href="mailto:DFTB-Plus-User@dftb-plus.info">DFTB-Plus-User@dftb-plus.info</a><br>
> <a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
><br>
><br>
> End of DFTB-Plus-User Digest, Vol 28, Issue 6<br>
> *********************************************<br>
><br>
><br>
-------------- next part --------------<br>
An HTML attachment was scrubbed...<br>
URL: <a href="http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100409/06515e0a/attachment.html" target="_blank">http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100409/06515e0a/attachment.html</a><br>
<br>
------------------------------<br>
<br>
Message: 2<br>
Date: Thu, 8 Apr 2010 22:56:10 +0100<br>
From: Benjamin Hourahine <<a href="mailto:benjamin.hourahine@strath.ac.uk">benjamin.hourahine@strath.ac.uk</a>><br>
Subject: ***SPAM*** Re: [DFTB-Plus-User] Parallel version for Multicore CPU<br>
To: User list for DFTB+ related questions<br>
<<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a>><br>
Message-ID:<br>
<<a href="mailto:E4E5276EC6FFF04D8A733507AC9164A901003F7D6F9B@E2K7-MS2.ds.strath.ac.uk">E4E5276EC6FFF04D8A733507AC9164A901003F7D6F9B@E2K7-MS2.ds.strath.ac.uk</a>><br>
<br>
Content-Type: text/plain; charset="us-ascii"<br>
<br>
Hi,<br>
<br>
which compiler do you have installed? There are supplied option files<br>
that should work for:<br>
<br>
x86_64-linux-ifort<br>
x86_64-linux-gfortran<br>
x86_64-linux-g95<br>
<br>
then depending on which blas/lapack you have installed, you may have to<br>
set the path in<br>
Makefile.user<br>
<br>
For the Xeon quadcore and a threaded ATLAS BLAS I use the settings<br>
<br>
ARCH = x86_64-linux-gfortran<br>
include $(ROOT)/sysmakes/make.$(ARCH)<br>
<br>
############################################################################<br>
# Overriding standard options:<br>
############################################################################<br>
<br>
ATLASDIR = /home/ben/src/ATLAS/tmp/lib<br>
LIB_BLAS = -lgfortran -lptcblas -lptf77blas -latlas -lpthread<br>
LIB_LAPACK = -llapack<br>
<br>
Regards<br>
<br>
Ben<br>
________________________________________<br>
From: <a href="mailto:dftb-plus-user-bounces@dftb-plus.info">dftb-plus-user-bounces@dftb-plus.info</a> [<a href="mailto:dftb-plus-user-bounces@dftb-plus.info">dftb-plus-user-bounces@dftb-plus.info</a>] On Behalf Of Tuoc Vu Ngoc [<a href="mailto:tuocvungoc@mail.hut.edu.vn">tuocvungoc@mail.hut.edu.vn</a>]<br>
Sent: 08 April 2010 20:42<br>
To: <a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><br>
Subject: ***SPAM*** [DFTB-Plus-User] Parallel version for Multicore CPU<br>
<br>
Hi Balint,<br>
I wonder there is option or how to make a dftb for 4 core Intel Xeon Quadcore.<br>
Many thanks & regards,<br>
VNT<br>
<br>
On Thu, Apr 8, 2010 at 5:00 PM, <<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a><mailto:<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a>>> wrote:<br>
Send DFTB-Plus-User mailing list submissions tot<br>
<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><mailto:<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a>><br>
<br>
To subscribe or unsubscribe via the World Wide Web, visit<br>
<a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
or, via email, send a message with subject or body 'help' to<br>
<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a><mailto:<a href="mailto:dftb-plus-user-request@dftb-plus.info">dftb-plus-user-request@dftb-plus.info</a>><br>
<br>
You can reach the person managing the list at<br>
<a href="mailto:dftb-plus-user-owner@dftb-plus.info">dftb-plus-user-owner@dftb-plus.info</a><mailto:<a href="mailto:dftb-plus-user-owner@dftb-plus.info">dftb-plus-user-owner@dftb-plus.info</a>><br>
<br>
When replying, please edit your Subject line so it is more specific<br>
than "Re: Contents of DFTB-Plus-User digest..."<br>
<br>
<br>
Today's Topics:<br>
<br>
1. DFTB+ 1.1 release candidate (B?lint Aradi)<br>
<br>
<br>
----------------------------------------------------------------------<br>
<br>
Message: 1<br>
Date: Thu, 08 Apr 2010 08:53:36 +0200<br>
From: B?lint Aradi <<a href="mailto:balint.aradi@bccms.uni-bremen.de">balint.aradi@bccms.uni-bremen.de</a><mailto:<a href="mailto:balint.aradi@bccms.uni-bremen.de">balint.aradi@bccms.uni-bremen.de</a>>><br>
Subject: ***SPAM*** ***SPAM*** [DFTB-Plus-User] DFTB+ 1.1 release candidate<br>
To: DFTB+ User <<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a><mailto:<a href="mailto:dftb-plus-user@dftb-plus.info">dftb-plus-user@dftb-plus.info</a>>><br>
Message-ID: <<a href="mailto:4BBD7D70.8010002@bccms.uni-bremen.de">4BBD7D70.8010002@bccms.uni-bremen.de</a><mailto:<a href="mailto:4BBD7D70.8010002@bccms.uni-bremen.de">4BBD7D70.8010002@bccms.uni-bremen.de</a>>><br>
Content-Type: text/plain; charset="utf-8"<br>
<br>
Dear List members,<br>
<br>
thank you very much for taking part in the activity of the<br>
DFTB+ community. Your contributions help inexperienced users to make<br>
their first steps with DFTB+, experienced users to find answers to their<br>
specific questions, and of course your feedback helps us developers<br>
to understand which parts of the code and tools need improvement and<br>
which features are needed by the community.<br>
<br>
As sign of our appreciation, and in order to encourage you to continue<br>
your active participation in the future, we would like to invite you to<br>
try the release candidate for the next DFTB+ release (1.1) before its<br>
official announcment. (The official 1.1 version should be released in<br>
ca. 5 weeks.)<br>
<br>
You can download the soucre, precompiled binaries, the autotest and<br>
the manual from the website as usual. You will also find a list of the<br>
major changes under<br>
<br>
<a href="http://www.dftb-plus.info/about_dftb/release_11/" target="_blank">http://www.dftb-plus.info/about_dftb/release_11/</a><br>
<br>
If you have any comments or suggestions regarding the new version, or<br>
if you think you having found a bug, please do not hesitate to contact us.<br>
<br>
We hope, that you'll find our new release useful.<br>
<br>
<br>
Best regards<br>
<br>
The DFTB+ developer team<br>
<br>
--<br>
Dr. B?lint Aradi<br>
Bremen Center for Computational Materials Science, University of Bremen<br>
<a href="http://www.bccms.uni-bremen.de/en/%7Eb_aradi" target="_blank">http://www.bccms.uni-bremen.de/en/~b_aradi</a><<a href="http://www.bccms.uni-bremen.de/en/%7Eb_aradi" target="_blank">http://www.bccms.uni-bremen.de/en/%7Eb_aradi</a>><br>
<br>
<br>
-------------- next part --------------<br>
A non-text attachment was scrubbed...<br>
Name: signature.asc<br>
Type: application/pgp-signature<br>
Size: 252 bytes<br>
Desc: OpenPGP digital signature<br>
Url : <a href="http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100408/16559220/attachment-0001.pgp" target="_blank">http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20100408/16559220/attachment-0001.pgp</a><br>
<br>
------------------------------<br>
<br>
_______________________________________________<br>
DFTB-Plus-User mailing list<br>
<a href="mailto:DFTB-Plus-User@dftb-plus.info">DFTB-Plus-User@dftb-plus.info</a><mailto:<a href="mailto:DFTB-Plus-User@dftb-plus.info">DFTB-Plus-User@dftb-plus.info</a>><br>
<a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
<br>
<br>
End of DFTB-Plus-User Digest, Vol 28, Issue 6<br>
*********************************************<br>
<br>
<br>
<br>
<br>
------------------------------<br>
<br>
_______________________________________________<br>
DFTB-Plus-User mailing list<br>
<a href="mailto:DFTB-Plus-User@dftb-plus.info">DFTB-Plus-User@dftb-plus.info</a><br>
<a href="http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user" target="_blank">http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user</a><br>
<br>
<br>
End of DFTB-Plus-User Digest, Vol 28, Issue 7<br>
*********************************************<br>
<br>
</blockquote></div><br>