[gmx-developers] How to compile and run new tools from template.c?

Jason DeJoannis jdejoan at emory.edu
Wed Nov 12 18:19:45 CET 2003

I just looked inside my share/tools/. There were three
makefile: Makefile, Makefile.am and Makefile.in as well
as the program template.c. So I typed "make" which ended
up producing another makefile: Makefile.i686-pc-linux-gnu
This file has one target clearly aimed at compiling template.c.
So I typed "make -f Makefile.i686-pc-linux-gnu". This produced
a bunch of errors on compilation:

mpicc -O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-malign-double -funroll-all-loops   -I/usr/X11R6/include 
-I/home/dejo/include/gromacs     -c -o template.o template.c
template.c:40:22: statutil.h: No such file or directory
template.c:41:22: typedefs.h: No such file or directory
template.c:42:21: smalloc.h: No such file or directory
template.c:43:17: vec.h: No such file or directory
template.c:44:22: copyrite.h: No such file or directory
template.c:45:22: statutil.h: No such file or directory
template.c:46:19: tpxio.h: No such file or directory


My gromacs is installed only in my user account (using the 
configure script). The include path "-I/home/dejo/include/gromacs"
is wrong. So I changed it to the right one and now it works.
I have the object "template.o" available now.

Now it is probably necessary to install this object as a binary
or integrate it with the gromacs source somehow but I am not
clear on that.

Jason de Joannis, Ph.D.
Chemistry Department, Emory University
1515 Pierce Dr. NE, Atlanta, GA 30322
Phone: (404) 712-2983
Email: jdejoan at emory.edu

Quoting gmx-developers-request at gromacs.org:

> Send gmx-developers mailing list submissions to
> 	gmx-developers at gromacs.org
> To subscribe or unsubscribe via the World Wide Web, visit
> 	http://www.gromacs.org/mailman/listinfo/gmx-developers
> or, via email, send a message with subject or body 'help' to
> 	gmx-developers-request at gromacs.org
> You can reach the person managing the list at
> 	gmx-developers-admin at gromacs.org
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of gmx-developers digest..."
> Today's Topics:
>    1. How to compile and run new tools from template.c? (Senthil Kandasamy)
> --__--__--
> Message: 1
> Date: Tue, 11 Nov 2003 14:04:15 -0500
> From: Senthil Kandasamy <senthilk at umich.edu>
> To: gmx-developers at gromacs.org
> Subject: [gmx-developers] How to compile and run new tools from template.c?
> Reply-To: gmx-developers at gromacs.org
> I want to write a new analysis tool and I have been editing the 
> template.c in the /share/template folder. Now, how do I compile this ? I 
> am not familiar with make. I renamed template.c to be g_myhbondcf.c . 
> Now, how do I compile this program? I can guess that it involves editing 
> the make file and then make; make install, but what are the exact steps? 
> Thanks in advance. 
> Senthil
> --__--__--
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> End of gmx-developers Digest

More information about the gromacs.org_gmx-developers mailing list