Re: [AMBER] AmberTools compilation

From: Tom Dreyfus <tom.dreyfus.inria.fr>
Date: Thu, 9 Mar 2017 16:36:09 +0100

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.

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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Received on Thu Mar 09 2017 - 08:00:03 PST
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