Hi,
What version of AmberTools is this? In the latest (AmberTools19),
cpptraj gets configured to use -qopenmp with recent intel compilers.
-Dan
On Fri, Nov 8, 2019 at 8:34 AM Vlad Cojocaru
<vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>
> 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 Tue Nov 12 2019 - 07:00:03 PST
