[lammps-users] Problem of making with reax package



Hello Steve



I tried to make ‘reax’ package. According the lammps documentation ‘2.3 Making LAMMPS with optional packages’, I precompiled an additional library, ‘libreax.a’, in lib/reax directory. Then I built lammps. But always got the following error message:











Makefile:35: pair_lj_smooth.d: No such file or directory



Makefile:35: pair_morse.d: No such file or directory



gcc -O -I/nfs/compilers/mpich-1.2.5/include -DFFT_NONE -DGZIP -M pair_reax.cpp > pair_reax.d



In file included from pair_reax.cpp:29:



pair_reax_fortran.h:46:23: reax_defs.h: No such file or directory



make[1]: *** [pair_reax.d] Error 1



make: *** [sysx] Error 2











Appreciate your help.







Yang









|

Hello Steve

I tried to make 'reax' package. According the lammps documentation '2.3
Making LAMMPS with optional packages', I precompiled an additional library,
'libreax.a', in lib/reax directory. Then I built lammps. But always got the
following error message:

Makefile:35: pair_lj_smooth.d: No such file or directory

Makefile:35: pair_morse.d: No such file or directory

gcc -O -I/nfs/compilers/mpich-1.2.5/include -DFFT_NONE -DGZIP -M
pair_reax.cpp > pair_reax.d

In file included from pair_reax.cpp:29:

pair_reax_fortran.h:46:23: reax_defs.h: No such file or directory

you have to add the reax directory to the include path, i.e. add
-I../../lib/reax
to your CCFLAGS.

cheers,
   axel.

Hi Axel
Thank you so much for the reply. But I don’t know where to add ‘-I…/…/lib/reax’
Can you please describe in details?
I have checked ‘Makefile.g++_reax’ in directory
src/MAKE/Makefile.


<br><br>-I../../lib/reax<br>is already in the CCFLAGS line.<br><br>Thanks.<br><br>Yang<br><br><br><br><br><br><br>


09年2月16日,周一, Axel Kohlmeyer [email protected] 写道:


> 发件人: Axel Kohlmeyer <akohlmey@…1186…>
> 主题: Re: [lammps-users] Problem of making with reax package
> 收件人: luyang0309@…215…
> 抄送: [email protected]
> 日期: 2009,216,周一,7:09上午
>
> <br>> On Sun, Feb 15, 2009 at 4:22 PM, YANG LU <[email protected]...><br>> wrote:<br>> > Hello Steve<br>> ><br>> > I tried to make 'reax' package. According the lammps documentation<br>> '2.3<br>> > Making LAMMPS with optional packages', I precompiled an additional<br>> library,<br>> > 'libreax.a', in lib/reax directory. Then I built lammps. But<br>> always got the<br>> > following error message:<br>> ><br>> ><br>> ><br>> > …<br>> ><br>> > Makefile:35: pair_lj_smooth.d: No such file or directory<br>> ><br>> > Makefile:35: pair_morse.d: No such file or directory<br>> ><br>> > gcc -O -I/nfs/compilers/mpich-1.2.5/include -DFFT_NONE -DGZIP -M<br>> > pair_reax.cpp > pair_reax.d<br>> ><br>> > In file included from pair_reax.cpp:29:<br>> ><br>> > pair_reax_fortran.h:46:23: reax_defs.h: No such file or directory<br>> <br>> you have to add the reax directory to the include path, i.e. add<br>> -I../../lib/reax<br>> to your CCFLAGS.<br>> <br>> cheers,<br>> axel.<br>> <br>> ><br>> > make[1]: *** [pair_reax.d] Error<br>> 1<br>> ><br>> > make: *** [sysx] Error 2<br>> ><br>> ><br>> ><br>> ><br>> ><br>> > Appreciate your help.<br>> ><br>> ><br>> ><br>> > Yang<br>> ><br>> ><br>> ><br>> ><br>> ><br>> > ________________________________<br>> > 好玩贺卡等你发,邮箱贺卡全新上线!<br>> ><br>> ------------------------------------------------------------------------------<br>> > Open Source Business Conference (OSBC), March 24-25, 2009, San Francisco,<br>> CA<br>> > -OSBC tackles the biggest issue in open source: Open Sourcing the<br>> Enterprise<br>> > -Strategies to boost innovation and cut costs with open source<br>> participation<br>> > -Receive a $600 discount off the registration fee with the source code:<br>> SFAD<br>> > http://p.sf.net/sfu/XcvMzF8H<br>> > _______________________________________________<br>> > lammps-users mailing list<br>> > [email protected]<br>> ><br>> https://lists.sourceforge.net/lists/listinfo/lammps-users<br>> ><br>> ><br>> <br>> -- <br>> =======================================================================<br>> Axel Kohlmeyer [email protected] http://www.cmm.upenn.edu<br>> Center for Molecular Modeling -- University of Pennsylvania<br>> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323<br>> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425<br>> =======================================================================<br>> If you make something idiot-proof, the universe creates a better idiot.<br>> <br>>

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Hi Axel
Thank you so much for the reply. But I don't know where to add '-I../../lib/reax'
Can you please describe in details?

if you want more details, please get a book about make and makefiles.

I have checked 'Makefile.g++_reax' in directory
src/MAKE/Makefile.

-I../../lib/reax
is already in the CCFLAGS line.

yes. but did you do "make g++_reax" ?

axel.

I suggest you find a local expert who knows about makefiles.
The LAMMPS doc pages are as clear as I can make them,
but there can still be system-dependent issues, that you need
some experience to sort out.

Steve