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From: s. <zha...@qq...> - 2009-10-12 01:43:06
|
Dear colleagues, In the manual,we can see the code to use sw -potential as follow. But , how can I change the parameter of SW potential? It's similar in the tersoff potential. thanks. # Set constants for Stillinger-Weber Si potential # (12 Feb 1998) # potential set still calc DTIME=0.5e-15 dtime DTIME calc Si=1 calc MassSi=28.086 calc A0=5.428 eunit erg |
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From: 郑兴旺 <zhe...@gm...> - 2009-10-11 11:44:47
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Would you like support xmd-parameter ? I am a frishmen of the xmd-user.Thank you. |
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From: Jon R. <jon...@uc...> - 2009-09-30 12:57:22
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You can color the atoms using WMOVIEC. VMOVIEC is just for viewing them.
You need to assign "false" types to your atoms. There are two ways to
do this.
The first way is to use XMD to read in your original data, assign
"false" types (one for atoms 1-10, the other for atoms 11-5000) and
write out a new .cor file. Then, using the ATOM COLOR TYPE command (see
the web page
http://xmd.sourceforge.net/other/wmoviec/wmoviec-doc.html
) you can color the two types of atoms separately.
The second way is to use the TYPELIST command for WMOVIEC (see the above
web page for details), and then use the ATOM COLOR TYPE command to
assign the colors by type.
Hope that helps.
- Jon
Kryklia Sasha wrote:
> Dear colleagues,
>
> How one can colour atoms of the same type (carbon) but different numbers
> (1-10 and 11-5000) in different colours ( in cor or rcv or ?) to view
> them in vmoviec?
>
> Thank You,
|
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From: Kryklia S. <kr...@gm...> - 2009-09-30 10:26:06
|
Dear colleagues, How one can colour atoms of the same type (carbon) but different numbers (1-10 and 11-5000) in different colours ( in cor or rcv or ?) to view them in vmoviec? Thank You, -- Alex Kryklia junior research assist. Dep. of Appl. Math. and Computing Experiment in Materials Science Institute for Problems in Materials Science Krzhizhanivsky 3, Kyiv 03680 Ukraine |
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From: Jon R. <jon...@uc...> - 2009-09-17 03:33:26
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Did you do these commands: tar xzf xmd-2.5.34-1.tar.gz cd xmd-2.5.34-1 ./configure make ? wangxingzheng1 wrote: > > > when I use the xmd-2.5.34-1.tar.gz,the configure make will have the > follow error "co config.guess > co: RCS/config.guess,v: No such file or directory > make: *** [config.guess] Error 1 > ".I hope you help me . > > > ------------------------------------------------------------------------ > "中国制造",讲述中国60年往事 > <http://news.163.com/madeinchina/index.html?from=mailfooter> > |
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From: wangxingzheng1 <wan...@12...> - 2009-09-17 03:02:29
|
when I use the xmd-2.5.34-1.tar.gz,the configure make will have the follow error "co config.guess co: RCS/config.guess,v: No such file or directory make: *** [config.guess] Error 1 ".I hope you help me . |
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From: Jon R. <jon...@uc...> - 2009-08-31 15:02:23
|
Zhengguang Liu The amount of speed increase depends on the number of processors on your computer, on the potential you are using, and on the geometry of your simulation. The maximum speed increase is the number of processors in your computer, although typically the actual increase is between 10% to 50% percent less for EAM potentials. For the Tersoff and Stillinger potentials there is no speed increase, because they are not parallelized. Hope that helps. - Jon liuzhengguang wrote: > Dear all, > I want to parallel the xmd under Linux with Intel. And I have compiled > the xmd under Linux with Intel by the instruction " For Parallel (SMP = > symmetric multi-processing) version of > # XMD using Posix Threads, uncomment the following two lines > THREAD_LIB=-lpthread > DEF=-DUSE_THREAD_LIB -D_REENTRANT $(INTEL_PATCH)" . > Finally, I get a file with the name > "xmd.thread". But "xmd.thread" only run two times faster than the " > xmd.nothread". > So, how to work out this porblem? > Thanks very much! > Yours, > Zhengguang Liu > > > ------------------------------------------------------------------------ > 没有广告的终身免费邮箱,www.yeah.net <http://www.yeah.net/?from=footer> > -- ============================================================================== # Jon Rifkin # 860-486-5530 # jon...@uc... # Information Technology Services # University of Connecticut |
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From: liuzhengguang <gua...@16...> - 2009-08-31 08:33:05
|
Dear all,
I want to parallel the xmd under Linux with Intel. And I have compiled the xmd under Linux with Intel by the instruction " For Parallel (SMP = symmetric multi-processing) version of
# XMD using Posix Threads, uncomment the following two lines
THREAD_LIB=-lpthread
DEF=-DUSE_THREAD_LIB -D_REENTRANT $(INTEL_PATCH)" .
Finally, I get a file with the name "xmd.thread". But "xmd.thread" only run two times faster than the " xmd.nothread".
So, how to work out this porblem?
Thanks very much!
Yours,
Zhengguang Liu |
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From: korla r. <kor...@gm...> - 2009-08-28 11:53:21
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Please any body can tell where I can find EAM potential for Al in XMD format. It will be very helpful to me. Thankyou Rajesh |
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