Re: [AMBER] AmberTools compilation

From: Tom Dreyfus <tom.dreyfus.inria.fr>
Date: Thu, 9 Mar 2017 16:54:24 +0100

The installation has been successful.

Thank you every body for your help !

Tom.


On 03/09/2017 04:40 PM, Hai Nguyen wrote:
> 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
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>>
>>>> _______________________________________________
>>>> AMBER mailing list
>>>> AMBER.ambermd.org
>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>
>>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 09 2017 - 08:00:06 PST
Custom Search