Re: [AMBER] AmberTools compilation

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 9 Mar 2017 10:23:15 -0500

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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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
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Received on Thu Mar 09 2017 - 07:30:03 PST
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