Dear Amber team,
I regret my previous mail, and its subject. The problem came from my
compiler which was solved after reinstalling it.
Greeting,
Hector.
> On Tue, Apr 18, 2017, Hector A. Baldoni wrote:
>>
>> I was trying to compile the AmberTools17 whith the Intel(R) Parallel
>> Studio XE Cluster Edution for Linux, Version 17.0.3.191 Build 20170404
>> compiler, however in such compiler the -openmpi option is deprecated and
>> replaced by qopenmp and the compiler complains with the following
>> error:
>>
>> ================================================================
>> ./configure -noX11 -qopenmp -intelmpi intel
>> Error: Unknown or misplaced flag: -qopenmp
>> Usage: ./configure [flags] compiler
>> Type './configure -help' for more details.
>> Configure failed due to the errors above!
>> ================================================================
>>
>
> It is not the compiler but the configure script that is reporting this
> error.
>
> I am unable to reproduce the problem (using the -openmp flag, as required
> by
> Amber's configure script.) I used Intel version 17.0.1, but I suspect
> that
> 17.0.3 is similar.
>
> The compiler does issue a warning that in "a future release" the -openmp
> flag may be removed, but it seems fine for now.
>
> ....dac
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--------------------------------------
Dr. Hector A. Baldoni
Profesor Adjunto (FQByF-UNSL)
Investigador Adjunto (IMASL-CONICET)
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
-.First thinghs first, but not necesarily in that order.-
-.The theoretical approach these days can predict/show almost anything,
but the ultimate truth lies in the experiment.-
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Received on Wed Apr 19 2017 - 06:30:03 PDT
