[gmx-users] large files

[Erik Lindahl]

On Fri, 31 Aug 2001, Oliver Kohlbacher wrote:

> Dear all,
> 
> while running some test simulations, I encountered a problem
> with GROMACS 3.0.2 (on a SunFire 4800, Solaris 8., compiled with
> gcc 2.95.3 and SUNPro f77 5.1): although large files support for
> the file system I wrote to was enabled, GROMACS aborted the
> trajectory file at 2GB. Is there a way to tell GROMACS (while
> configure-ing?) to use the 64bit functions for file access?

This depends on your compiler and libraries - there is no
standard way how to enable/disable 64-bit filesystems.

Find the flags and/or libraries you need to add to your compiler
to make it support 64-bit file operations. This will probably require
a 64-bit C library - this might not be installed on your box!

I don't know anything about solaris, but in general you should only
have to

1. Add the compiler flags in CPPFLAGS
2. Add linker flags (i.e. -L/some/path) in LDFLAGS
3. Add any extra library in LIBS

Then run configure and make in the normal way. 

I do know for sure that at least one site is using Gromacs with
64bit file support in this way. Sorry, but there isn't much we can
do about it since it is not standardized between compilers.

 
Regards,

Erik