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Re: [lammps-users] dump has no 'xtc' style, even built with MISC package
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Re: [lammps-users] dump has no 'xtc' style, even built with MISC package


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 11 May 2018 23:35:04 -0400



On Fri, May 11, 2018 at 11:24 PM, Walter Kou <walterjunjun@...24...> wrote:
current stable branch: https://github.com/lammps/lammps/tree/stable

​that is a moving target so please let us know what is the date in the version.h​ file.

for example i have.
$ cat version.h 
#define LAMMPS_VERSION "11 May 2018"

thanks,
     axel.

 

On Fri, May 11, 2018 at 6:54 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
Which version of LAMMPS do you have? 

Axel 



--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

On Fri, May 11, 2018, 17:50 Walter Kou <walterjunjun@...24...> wrote:
Dear all,

I followed the lammps guide and rebuild lammps code with MISC package (http://lammps.sandia.gov/doc/dump.html) to get 'xtc', but I still do not see xtc in dump style. Further run got error. My steps are follow.
The lammps is the stable branch in github

1) make clean // clean old .o files
    rm -rf Obj_wkv1 // remove all  previous obj files in the folder. 
    rm -rf lmp_wkv1 // remove the binary file


2) // make yes-[packages] including MISC. 
 # make pi  // as below
Installed YES: package COLLOID
Installed YES: package MANYBODY
Installed YES: package MC
Installed YES: package MISC
Installed YES: package MOLECULE
Installed YES: package PYTHON
Installed YES: package USER-DPD
Installed YES: package USER-LB
Installed YES: package USER-MESO
Installed YES: package USER-SPH


4) make wkv1 -j 3 // rebuild the code with wkv1
// MINE/Makefile_wkv1 is based on makefile_mpi but with png support
........... long compilaton
............. linking ..
 dump_xtc.o was seen in the linking step

5) lmp_wkv1 -h // check dump style, but xtc is not shown up
..... 
* Dump styles:

atom            cfg             custom          dcd             image
local           movie           xyz

Anything I miss?

Thanks,

Walter
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--
Wenjun (Walter) Kou
Research Associate, Feinberg school of medicine, Northwestern University



--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.