Re: [AMBER] AmberTools compilation

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 9 Mar 2017 10:40:25 -0500

On Thu, Mar 9, 2017 at 10:36 AM, Tom Dreyfus <tom.dreyfus.inria.fr> wrote:

> Hi,
>
> For development purposes, I recently turned my default compiler to be
> clang on my computer since it is less permissive than gcc (CC =
> /usr/bin/clang and CXX = /usr/bin/clang++),
>
> and I forgot about it.
>
> This is why the command :
>


>
> ./compile gnu
>
> was taking clang and not gcc.
>

It's good idea to add this checking for configure too (we have that for OSX
but not for Linux). We will try to update this in next AmberTools release.
thanks

Hai


>
> I removed my CC and CXX variables, and restart the configuration /
> compilation from scratch.
>
> I let you know if it works.
>
> Thanks for the help.
>
> Tom.
>
> On 03/09/2017 04:23 PM, Hai Nguyen wrote:
> > hi,
> >
> > what's your clang version? (clang --version).
> >
> > Anyway, AmberTools with clang on Linux is not not well tested (as far as
> I
> > know).
> >
> > So can you try "./configure gnu"?
> >
> > (make sure to "make clean" before doing that to wipe out the clang
> > generated objects).
> >
> > Hai
> >
> > On Thu, Mar 9, 2017 at 9:41 AM, Tom Dreyfus <tom.dreyfus.inria.fr>
> wrote:
> >
> >> I typed
> >>
> >>> ./configure clang
> >> and has the output in the attached file config.txt
> >>
> >>
> >> I then ran :
> >>
> >>> source amber.sh
> >> then :
> >>
> >>> make install
> >> and got the attached file compile.txt
> >>
> >> I attached also the config.h file.
> >>
> >> I understand that I have probably confused the script by trying
> different
> >> compilers. I looked for a way to clean the configuration for restarting
> >> from scratch but I did not find an option ./configure clean
> >>
> >> I will retry with a clean amber directory.
> >>
> >> Tom.
> >>
> >>
> >>
> >>
> >> On 03/09/2017 03:16 PM, David Case wrote:
> >>
> >>> On Thu, Mar 09, 2017, Tom Dreyfus wrote:
> >>>
> >>>> you are right, I am using clang. When configuring, I put the following
> >>>> command line :
> >>>>
> >>>> > ./configure gnu
> >>>>
> >>>> setting clang automatically ....
> >>>>
> >>> Are you on a system where "gcc" actually gives you the clang compiler?
> Or
> >>> what
> >>> do you mean by saying that "configure gnu" would set clang
> automatically?
> >>>
> >>> If you are really using the clang compilers (and it looks like you
> are),
> >>> the please type "./configure clang".
> >>>
> >>> *Error: RISM and PBSA FFT solver require GNU compiler version 4.3 or
> >>>> higher.**
> >>>>
> >>>> -- clang 3.7.0
> >>>> -- gcc 5.3.1
> >>>>
> >>> Above suggests that the configure script is confused about what
> compilers
> >>> are being used. Maybe you should post the actual outputs of
> >>> "which gcc" and "gcc -v"
> >>>
> >>> *Architecture/compiler 'gcc' is not supported!*
> >>> Odd...this makes me think you accidentally typed "./configure gcc"
> rather
> >>> than "./configure gnu".
> >>>
> >>> Bottom line: the errors are deep inside system codes, and suggest that
> the
> >>> compilers are either not configured correctly, or that our
> configuration
> >>> script has become quite confused. See if passing clang rather than gnu
> >>> to configure helps. If not, capture and post the output from the
> >>> configure
> >>> script, and the associated config.h file.
> >>>
> >>> ....regards...sorry you are having problems....dac
> >>>
> >>>
> >>> _______________________________________________
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> >>> AMBER.ambermd.org
> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >>>
> >>
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> >>
> >>
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Received on Thu Mar 09 2017 - 08:00:05 PST
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