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

From: Michael Sternberg <sternberg.anl.gov>
Date: Fri, 11 Nov 2011 10:01:50 -0600

On Nov 9, 2011, at 21:08 , case wrote:

> 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.
> [..]
> 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.


David,

I reviewed my logs and recall that the initial failure occurred when I performed the build steps piecemeal, between AmberTools vs Amber, and serial vs parallel. Once I got the correct order nailed down the builds went fine and the error disappeared. I could not recreate the error (not a great loss I'd say).


With best regards,
Michael


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Received on Fri Nov 11 2011 - 08:30:02 PST
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