Re: [AMBER] building openMP cpptraj with intel compiler

From: Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
Date: Fri, 8 Nov 2019 14:34:36 +0100

Ok, I was missing the "external.config.h" file .... Now if "-openmp" is
changed to "-qopenmp" in all *config.h files, it compiles ...

Best
Vlad


On 11/8/19 2:13 PM, Vlad Cojocaru wrote:
> Dear all,
>
> Building the openmp version of amber executables with the intel 2019
> compiler fails with the error below:
> The Amber configure script does not accept the "-qopenmp" flag ...
>
> I noticed that the config.h in $AMBERHOME already uses this flag so what
> I tried fix this by manually changing the config.h headers in the
> relevant src directories but even after changing I still get the same
> error (for icc) ....So, probably I need to change more than I identified ..
>
> Can anyone advise me how to fix this ?
>
> Best,
> Vlad
>
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [SpaceGroup.o] Error 1
> make[4]: *** Waiting for unfinished jobs....
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [ActionFrameCounter.o] Error 1
> make[4]: *** [Action_Align.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [ActionList.o] Error 1
> make[4]: *** [Action_Angle.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_AtomicCorr.o] Error 1
> make[4]: *** [Action.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_AtomicFluct.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_AutoImage.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_AtomMap.o] Error 1
> make[4]: *** [Action_Center.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_Box.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_Bounds.o] Error 1
> make[4]: *** [Action_Channel.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_AreaPerMol.o] Error 1
> icpc: command line error: option '-openmp' is not supported. Please use
> the replacement option '-qopenmp'
> make[4]: *** [Action_Average.o] Error 1
> make[3]: *** [install] Error 2
> make[2]: *** [build_cpptraj] Error 2
> make[1]: *** [openmp] Error 2
> make: *** [install] Error 2
>

-- 
Vlad Cojocaru, PD (Habil.), Ph.D.
-----------------------------------------------
Project Group Leader
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
-----------------------------------------------
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
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Received on Fri Nov 08 2019 - 06:00:07 PST
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