[gmx-users] template.c

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> HI
> To use template.c
> 1. create a file to put template.c and Makefile.x86_64-unknown-linux-gnu 
> together
> 2. under C compiler
>    => type the command => make -f Makefile.x86_64-unknown-linux-gnu
>    => type the command => cc -O -o template template.c -lm
>    => type the command => ./template < template.in <http://template.in>
> 
> 
> Am I right?
> 

No.  Read the contents of the Makefile.  The README explains how to use the 
files in the directory.

Beyond that, I would suggest some background reading about how to compile C code.

-Justin

> Thank you
> Lin
> 
> 
> 
> 
> 
> Chih-Ying Lin wrote:
>>  Hi
>>  Following are
>>  1.  template.c
>>  2.  README
>>  3.  Makefile.x86_64-unknown-linux-gnu
>>
>>
>>  In the template.c => it includes several GROMACS headers.
>>  #include "statutil.h"
>>  #include "typedefs.h"
>>  #include "smalloc.h"
>>  #include "vec.h"
>>  #include "copyrite.h"
>>  #include "statutil.h"
>>  #include "tpxio.h"
>>
>>
>>
>>  If I put the GROMACS headers with template.c in the same directory, 
> should I
>>  still need the Makefile for my architecture, intended to compile 
> template.c
>>  and link to the GROMACS libraries correctly ???
> 
> The point of the Makefile is that you don't need to move headers around
> - like it says in the README:
> 
> "A Makefile.arch is created for each architecture you install
> with the correct paths and libraries. You will have to link
> (or copy) the correct makefile to "Makefile" or use the -f
> option to gmake in order to select a makefile."
> 
> So do "make -f Makefile.x86_64-unknown-linux-gnu" like it says :-)
> 
> Mark
> 
> 
> 
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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