[AMBER] Passing the free-format flag to files in sander and nmode

From: case <case.biomaps.rutgers.edu>
Date: Wed, 9 Nov 2011 22:08:55 -0500

On Wed, Nov 09, 2011, Michael Sternberg wrote:
>
> Speaking of which - I noted a few instances where "LOCALFLAGS =
> $(FREEFORMAT_FLAG)" was set but is was not actually passed on to the
> Fortran compiler because there were rule overrides either in the
> Makefile or in ./depend. This was on the following platform:

What *should* be happening is that

(a) FFLAGS and FOPTFLAGS both include $(LOCALFLAGS) (in config.h),
(b) LOCALFLAGS is set in the sander Makefile,
(c) the compilation rules in sander's depend script use FFLAGS or FOPTFLAGS

Final result is that the free-format flag gets passed to all compiles.

This certainly happens on my machine, and must be happening on everyone else's
as well, as we have been using this scheme for many years. If the patch you
suggest were needed, no one would have been able to compile sander.

You patch suggests that parts (b) and (c) are fine on your computer, so
you should examine your config.h file, which should have lines like this:

FFLAGS= -O0 $(LOCALFLAGS) $(AMBERBUILDFLAGS)
FOPTFLAGS= -O3 $(LOCALFLAGS) $(AMBERBUILDFLAGS)

[some options will be different for intel, but $(LOCALFLAGS) should be there.]

If indeed your config.h file does not conform to this expectation, we need to
find out how you made it. You environment looks very vanilla to me. As an
experiment, try asking for gnu compilers rather than intel, just to see if
that makes any difference.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 09 2011 - 19:30:03 PST
Custom Search